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Trichlorotert Butanol BP EP USP Pharma Grade: A Full Picture

Historical Development

Years back, scientists working on new medical compounds came across trichlorotert butanol almost by accident, during the deeper studies into chemical intermediates for synthesizing anesthetics and antispasmodics. Its roots stretch into the heyday of pharmaceutical chemistry in the late nineteenth and early twentieth centuries, when researchers looked at organochlorines for new biologically active molecules. Regulatory standards like BP, EP, and USP came into play to bring attention to the need for clean, precisely characterized products suitable for medicines, and trichlorotert butanol found its way into specialized roles within laboratories and industrial settings. The chase for stricter purity grew partly out of a wave of contamination disasters and a growing demand for batch-to-batch reliability, so by the middle of the twentieth century, clear testing and preparation practices had become the norm for products like this.

Product Overview

Trichlorotert butanol lands in the family of organic compounds as a tertiary alcohol with three chlorine atoms attached to its structure. Each batch used in the pharma world gets made under conditions that remove as many contaminants as possible. In pharma grade material, users expect defined limits on things like residual solvents and related impurities, thanks in large part to requirements set down by the European Pharmacopeia, British Pharmacopeia, and United States Pharmacopeia. This keeps both raw material buyers and final drug makers accountable, and builds trust across supply lines. Pharmacopeial grades cater to a special group — researchers, formulation scientists, analytical folks, and regulatory affairs teams all watch for clear documentation before trusting a compound like this. Reliability and full transparency stay on everyone’s minds.

Physical & Chemical Properties

At room temperature, trichlorotert butanol forms a solid with a white crystalline appearance, easy to recognize against the flakey or powdery textures of some chemical relatives. A sharp, noticeable odor comes from volatile chlorinated species. Structurally, the molecule carries three chlorine atoms attached to a central carbon, leading to strong electron-withdrawing effects. A melting point sits comfortably between 70°C and 73°C, which matters when handling in bulk or shipping in warmer climates. The compound dissolves modestly in organic solvents like ether and chloroform, but less so in water, so solution preparation takes some attention. Density and refractive index get measured to match pharmacopeial tables before release for sale. Reactivity studies point to robust stability under cold, dry storage, but once moisture or excessive heat show up, degradation can start, so proper controls on temperature and container tightness become serious daily chores for chemists and warehouse managers.

Technical Specifications & Labeling

Pharma grade trichlorotert butanol must meet a laundry list of specifications: purity not dipping below 99%, heavy metals tested well beneath the 10 ppm threshold, negligible moisture as measured by Karl Fischer titration, and confirmation of chloride ion content. Certificates of analysis back up every batch, so users know that what’s in the bottle matches what’s on the label. Labels lay out storage instructions, lot numbers, production dates, and intended usage, and human eyes check these each time new supplies ship out from a GMP-compliant site. Barcode tracking and tamper-evident seals show just how far the industry has come in warding off supply chain fakes. The rising focus on serialization within pharma makes tracking even more transparent than ever before, which is a huge help once products cross borders.

Preparation Method

Making trichlorotert butanol starts with a careful reaction between tert-butanol and chlorine gas under ultraviolet light or in the presence of catalysts. The choice of solvent, reaction temperature, and time all steer the yield and cleaning up at the end involves both distillation and recrystallization, to strip away unreacted starting materials and byproducts like di- or monochlorinated alcohols. Over the years, improvements in reactor design let chemists push the reaction to higher throughput without a jump in side reactions. Teams working in process chemistry know the challenge of scaling up — what works in a flask sometimes throws a curveball when done in a reactor the size of a car — but careful planning gets around a lot of the thermal and mixing headaches. Disposal of spent chlorine and solvent byproducts needs ongoing attention, especially given stricter environmental rules. Many big manufacturers have moved toward greener, closed-loop recovery wherever possible.

Chemical Reactions & Modifications

In the lab, trichlorotert butanol has enough versatility for some interesting chemistry. Its three chlorine atoms drive nucleophilic substitution, so it finds use not just as an intermediate, but also as a starting block for more complicated pharmaceutical actives. Under basic conditions, the alcohol function can react to form ethers or esters, tapping into goals of drug solubilization or targeting in medicinal chemistry. Chemists see it as a scaffold for attaching functional groups, steering activity or improving bioavailability in finished compounds. While the heavy chlorine load brings reactivity and stability, it also limits certain downstream reactions, so research teams experiment with partial dechlorination or coupling reactions. Every big pharma player running custom synthesis screens has wrestled with optimizing these steps for cleaner, greener reactions.

Synonyms & Product Names

Over time, trichlorotert butanol has picked up a laundry list of alternative names: 2-Methyl-2-trichloromethylpropan-1-ol, tert-Butanol trichloromethyl, and even its registry numbers like CAS 594-55-0. Bulk suppliers might list it by its IUPAC-derived moniker or abbreviate for internal paperwork. Knowing these synonyms gets vital for procurement teams, because a shipment under the wrong name can force unplanned downtime or regulatory headaches. Trade names exist, but anyone in the supply chain needs to double-check the actual chemical identity behind a product code or label, since regional differences or branding quirks still pop up.

Safety & Operational Standards

Current best practices for handling trichlorotert butanol stem from both chemical safety tradition and fresh regulatory enforcement. Proper PPE starts with gloves, goggles, and closed handling systems, because exposure by skin or inhalation can generate irritation or worse. Storage in tightly sealed, labeled containers away from oxidizers and acids stays key to keeping workplace accidents at bay. Safety data sheets flag the possible formation of harmful vapors or toxic decomposition under fire, so facility design leans on ventilation and fire suppression systems. Operations benefit from ongoing builds in automation — newer plants use real-time monitoring and auto-dispensing to hold down the risks of human exposure or error. Training drills and hazard communication clear up confusion for new employees, so even brief exposure hazards get addressed. Environmental audits cover disposal of waste streams, forcing sites to keep up with both company and national standards.

Application Area

Research teams and commercial drug manufacturers look toward trichlorotert butanol mostly as a synthetic intermediate. Its structure lets downstream chemists build up more complex molecules for use in therapies for neurological disorders and cardiovascular health, and it sometimes features in the steps toward anesthetic agents like chloral derivatives. Beyond direct drug development, labs see value in using trichlorotert butanol for probing chemical reaction mechanisms, thanks to its predictable reactivity. In the quality control area, it can act as a reference standard, helping calibrate equipment or validate methodologies in both raw material and final product workflows. Chemists from other industries occasionally dip into these stocks for specialty polymers, coatings, or fine chemicals, but it’s medicines where it gets the most attention and scrutiny.

Research & Development

Academic labs, start-up incubators, and big pharma research groups each find new uses or derivatives of trichlorotert butanol every year. Recent publications reflect ongoing interest in producing less toxic analogs or leveraging selectivity in C–Cl bond activation for greener synthesis. Companies make a point of collaborating with universities on these projects, because access to both fresh thinking and expensive analytical tools speeds up breakthroughs. AI-driven retrosynthesis tools often highlight trichlorotert butanol as a node in computer-generated synthetic pathways, since it bridges simple feedstocks with advanced intermediates. R&D teams pursue parallel approaches in purification, seeking methods that use less solvent or reduce energy consumption. Conferences see spirited debate over the pros and cons of newer modifications, pointing to a bright pipeline of next-generation chemical tools with roots in this unassuming molecule.

Toxicity Research

Data from animal models and workplace monitoring back up the caution around trichlorotert butanol exposure. Short-term inhalation or skin contact causes irritation, and mouse studies suggest possible central nervous system effects. Chronic exposure trends toward liver and kidney strain at high doses, which leads companies to stress engineering controls. Environmental concerns show up in runoff or improper dumping — the chlorinated character can harm aquatic life and persists in soils, drawing the attention of environmental protection agencies across the globe. Researchers focus on metabolic pathways, looking at whether detoxification rates in humans differ from animal surrogates, and how low-level chronic exposure might impact at-risk groups like workers with existing respiratory conditions. Investment in better PPE and stricter tracking of worker health pays dividends in lower lost-time incidents and legal costs. Occupational medicine experts work hand-in-hand with chemists and engineers to fine-tune safety culture.

Future Prospects

The path forward for trichlorotert butanol ties closely to trends in green chemistry, regulatory tightening, and the ever-higher bar for pharmaceutical purity. Industry pushback against waste and toxic byproducts drives a long look at both the production route and downstream fate of this compound. Process engineers search for catalysts that both boost yield and cut the need for harsh reagents. On the regulatory side, public concern about chlorinated chemicals forces transparent communication, with annual sustainability audits putting every supplier under the microscope. The compound’s place as a reliable intermediate gives it staying power, but success rests on blending chemical innovation with an honest commitment to worker and environmental safety. Any chemist or manufacturing manager headed into the future will keep their eyes open for new uses, greener tweaks, and the steady march of compliance. Staying curious and quick to adapt will shape the story of trichlorotert butanol for the next generation of drug makers and researchers.




What is Trichlorotert Butanol BP EP USP Pharma Grade used for?

The Unsung Helper in Drug Formulation

Pharmaceutical manufacturing rarely attracts attention unless a recall or breakthrough hits the headlines. Yet one of the real backbones, especially in active pharmaceutical ingredients, is a compound called Trichlorotert Butanol. This chemical might not get the spotlight, but it quietly shapes drug development through several vital roles. Anyone who’s worked even briefly in a pharmaceutical lab knows nothing slows progress like contamination, variable purity, or unstable additives. That’s where pharma-grade Trichlorotert Butanol makes a true difference.

Consistency and Purity—The Main Game

Pharma grade refers to the highest quality standards—BP, EP, and USP all stand for top-tier benchmarks from British, European, and United States pharmacopeias. These standards give clear directions for purity, strength, and composition. Trichlorotert Butanol meeting these certifications lands on laboratory benches worldwide not by luck, but because drug makers demand consistency batch after batch. Contaminants, moisture, or the wrong grade risk throwing off a whole production run, causing avoided costs and delays that hit patients and businesses alike. Purity isn’t just about paperwork—it’s about protecting every dose that ends up on a pharmacy shelf.

Stabilizer and Solvent in Active Ingredient Manufacturing

Many drugs start as unstable compounds. Heat, air, or water can shift or break down vital molecules long before pills ever reach patients. Here’s where Trichlorotert Butanol gets valuable—it often stabilizes certain raw intermediates or finished products, giving chemists a longer working window and better shelf life. It’s not just a reaction solvent that disappears after the process, either. In some formulations, this compound helps with crystallization or even acts as a trace ingredient for balancing pH and reaction rates.

From my own lab days, nothing tested our patience like scavenging off-target reactions because a lesser solvent broke down under stress. A stable option like Trichlorotert Butanol lets researchers focus on the main task, not endless troubleshooting due to minor ingredient fluctuations.

The Reality of Regulation and Safety

Safety takes center stage in regulated industries. Every chemical used in pharmaceuticals needs not only the right purity but a full profile of risks, interactions, and proven handling protocols. Authorities require documentation for every step that compound takes, from warehouse to production to finished tablet. A pharma grade Trichlorotert Butanol from a reputable supplier means auditors, researchers, and production teams can rely, trace, and analyze each kilogram added to a batch. This traceability matters not just for regulatory compliance, but to reassure patients and healthcare pros that shortcuts never creep in.

Challenges and Where Solutions Begin

Cost often becomes a hurdle. Pharmaceutical quality chemicals run higher than industrial grades. For smaller firms, switching to or maintaining BP EP USP grade inputs means squeezing margins or passing costs along. Suppliers can ease this by improving supply chain efficiency, building regional stock points, or offering batch traceability with each order. On the regulatory side, harmonizing standards across regions could cut duplication, letting researchers source without battling inconsistent paperwork.

Quality control teams also need more direct training to spot contamination risks early. Automated testing, rapid on-site analysis, and clearer onsite guidance from experienced chemists would save countless hours that now vanish to paperwork and repeat testing. The goal isn’t just more regulation—it’s smarter oversight and transparent communication among labs, suppliers, and regulators.

Looking Forward

Trichlorotert Butanol’s story won’t surface in flashy magazine spreads. Still, its presence in pharmaceutical manufacturing plays a quiet but crucial role in keeping the whole system running. Every lab worker knows the value of reliable, certified compounds. By focusing on better training, smarter supply chains, and consistent documentation, the impact of this hidden helper grows, ensuring better medicines reach those who need them most.

What are the specifications or purity standards for Trichlorotert Butanol BP EP USP Pharma Grade?

Why Purity Standards Matter in Pharmaceuticals

Quality sets the tone for everything in pharmaceuticals, and that includes every raw ingredient. Trichlorotert Butanol, used as an intermediate and in synthesis, enters a different playing field once it goes by BP, EP, or USP grades. These standards aren’t just paperwork—they build trust and keep products safe. Regulatory agencies demand strict adherence to these specifications for a reason. If suppliers cut corners, patient safety takes a hit. A byproduct or contaminant, even in trace amounts, risks severe consequences.

What Do BP, EP, and USP Standards Demand?

Working with pharmaceutical grade Trichlorotert Butanol, I’ve noticed the scrutiny never lets up. British Pharmacopoeia (BP), European Pharmacopoeia (EP), and United States Pharmacopeia (USP) each lay out detailed requirements. These standards carefully outline purity levels, permissible impurity thresholds, appearance, melting range, and water content. Typically, purity sits at not less than 99%. Heavy metals like lead, mercury, and arsenic should register either undetectable or far below certain parts per million. Testing for related substances, such as unreacted starting material or byproducts, involves validated chromatographic methods. Residual solvents also face strict limits, since leftover solvents from manufacturing introduce health risks.

Visual appearance might sound basic, but color and clarity can reveal process problems. If a batch shows unexpected color, that’s a red flag. Moisture content matters here, too. Too much water lowers stability and might mess up later steps in making a medicine. These standards also require identity tests—to catch out any supplier substituting or mislabeling the product. These tests often rely on techniques like IR and NMR spectroscopy, comparing fingerprint spectra to known samples.

Lab Realities and Supplier Accountability

On the lab floor, compliance gets proven batch by batch. Certificates of Analysis aren’t just for paperwork—they trace a batch’s journey from synthesis through shipping. Each document ideally lays out test results for every line item the pharmacopeia standards demand.

In practice, it takes constant attention to source only from trusted suppliers who maintain GMP-certified facilities. These are the folks who invest in documentation and third-party audits, reducing the risk of contamination or supply disruption. I’ve had to change suppliers when a batch’s actual purity fell short, even though the paperwork looked fine. Spot-checking, re-running identity tests, and keeping an eye on possible cross-contamination pays off in the long run.

Solving the Gaps

Slipping on these standards costs more than just money; it risks recalls, regulatory action, and most importantly, patient trust. Pharmaceutical quality teams should keep their own reference spectra and impurity libraries, especially if they buy from new sources. Building strong partnerships with labs for independent verification helps spot issues before products head downstream. Funding regular training for production and quality staff means fewer costly mistakes at each step.

Reducing variability starts with enforcing all-important specs, not just for show, but out of respect for the end user. Bringing better instruments into QC labs and insisting on transparency from every supplier keeps weak links out of the chain. At the end of the day, sticking to these pharma grade specifications for Trichlorotert Butanol means valuing science, safety, and well-being over shortcuts.

Is Trichlorotert Butanol BP EP USP Pharma Grade safe for pharmaceutical use?

A Straightforward Look at Trichlorotert Butanol's Role

Trichlorotert Butanol isn’t a household name, but it matters deeply in the world of pharmaceuticals. I’ve talked with plenty of pharmacists and chemists who emphasize the importance of clean, consistent raw materials for making safe medicine. When folks ask if a chemical — especially something with a technical name like Trichlorotert Butanol — can be trusted in drugs, I take that question seriously. We’re not just talking chemistry; we’re talking about what goes into the daily treatments millions rely on.

The Meaning Behind BP, EP, and USP Pharma Grade

Labels like BP, EP, and USP turn up on lots of pharmaceutical ingredients. These letters stand for British Pharmacopoeia, European Pharmacopoeia, and United States Pharmacopeia. Think of these as strict recipe books checked by experts, with clear standards for how pure and safe an ingredient must be. When Trichlorotert Butanol gets stamped with these codes, practical folks in the business take that seriously. That label isn’t marketing fluff — it means a batch has met set limits for things like heavy metals, leftover solvents, and other contaminants.

Concerns and Facts Worth Knowing

No one wants surprises in their medicine. Labs use chromatography and spectroscopy to make sure nothing unexpected turns up in the drum of Trichlorotert Butanol destined for a tablet plant. Follows plenty of rules from regulatory agencies, not only in the U.S. and Europe but also in countries with their own standards. In the United States, the Food and Drug Administration checks both the chemical quality and the facilities, right down to air filters and recordkeeping. Europe puts similar pressure on companies to follow rules under agencies like the European Medicines Agency. This teamwork across continents keeps counterfeit or unsafe chemicals from flooding the supply chain.

Pharmaceutical Safety Isn’t Just About Chemistry

Quality teams pull samples, run countless checks, and file thick stacks of paperwork. In my experience working in pharmaceutical shipping, every delivery gets a unique code. If something’s wrong, the company can trace and recall a batch quickly. Mistakes happen — but transparency and training stop most problems before products ever reach patients. Where a company sources its Trichlorotert Butanol makes a difference, too. Reliable manufacturers invest heavily in equipment and train their people, which helps cut down on errors that could risk patient health.

Benefits and Risks — An Honest Balance

Most experts see Trichlorotert Butanol as low-risk when it’s handled right and meets pharmacopeia standards. It usually serves as an intermediate or a building block in synthesis, not as an ingredient you swallow directly. Any ingredient can turn from safe to dangerous if quality slips or shortcuts are taken. People have a right to ask hard questions about anything that ends up in their bodies. Reading inspection reports, choosing credible suppliers, and following science instead of shortcuts — all make a real difference.

Raising the Bar Going Forward

We all benefit from strong oversight and from sharing knowledge. Teams on the ground, pharmacists, and scientists all need to keep pressing for transparency about where and how materials are made. Sharing honest results about what works and what doesn’t helps guard against cutting corners, and keeps drugs as safe as possible. Trichlorotert Butanol, if it meets BP EP USP standards and comes from trusted sources, earns its place in pharmaceutical manufacturing. It’s not about trust in a label; it’s trust in a whole system that stands behind those letters.

How should Trichlorotert Butanol BP EP USP Pharma Grade be stored and handled?

Understanding the Substance and Its Risks

Working around chemicals like Trichlorotert Butanol isn’t just about wearing gloves and calling it a day. Most people outside the pharma or lab setting probably haven’t heard about this alcohol derivative, but missing the basics puts you and your work at unnecessary risk. This chemical has wide use in pharmaceutical production, with standards set by BP, EP, and USP monographs. It looks like a harmless solid at room temperature, with a faint chemical odor, but exposure can cause irritation or more serious health effects if handled haphazardly. I spent several years in a university lab mixing and measuring solvents, and one thing my supervisor pounded into our heads—take the small stuff seriously. That little bit of dust or fumes adds up.

Why Proper Storage Matters

Humidity, heat, and improper sealing turn many chemicals into safety hazards, but Trichlorotert Butanol demands special attention. Store this chemical in a tightly closed container, away from sunlight and strong ignition sources. Many labs keep it at room temperature inside a dedicated chemical cabinet marked for flammables or mildly toxic materials. I saw a lab accident once where a student left a similar compound on a sunny windowsill for a day. The container warped, chemical fumes hit the room, and the student had to file a report. Nobody wants that paperwork or exposure risk.

Damage to packaging can introduce moisture, which sometimes breaks down chemicals or creates dangerous byproducts. Store Trichlorotert Butanol in a dry area, with compatible chemicals only. Segregate it from oxidizers and acids. This isn’t just about following a checklist. Chemistry reacts in real time, and mistakes can force an entire room evacuation. I learned to check all container seals every week, and it saved me once—a cracked cap left unnoticed can let out harmful vapors.

Handling Precautions Pay Off

Anyone handling Trichlorotert Butanol needs to wear protective clothing—think safety goggles, lab coat, and nitrile gloves. I’ve noticed nitrile stands up better than latex for this kind of work. Splash-proof safety goggles do the trick. Avoiding skin and eye contact goes without saying, but it’s easy to slip up if you get careless. Open containers slowly in a fume hood to limit inhalation risk. Even if you don’t smell much, repeat exposure can add up to headaches, dizziness, or other systemic effects. In my old lab, the hood saved us from more than one nasty incident.

Never pipette by mouth. Never eat or drink in the work area. It’s tempting, especially on long days, but contamination can happen in a split second. Clean up spills using absorbent material—don’t sweep it into a drain. Dispose of the waste in designated hazardous disposal bins, following local regulations. I’ve watched trainee chemists treat hazardous waste casually, only to tie up the whole department with disposal violations. Investing effort in cleaning and disposal not only prevents accidents but also keeps your lab partner and the janitor safe.

Solutions That Work

Consistent training is the difference maker. The best-run labs I’ve ever worked in ran annual refresher courses and had safety posters up in every work zone. Stocking enough PPE, keeping spill kits within arm’s reach, and scheduling regular storage checks cut down on incidents. These approaches line up with pharma guidelines and industry advice. Keep records of how much you store, and make sure your chemical inventory system flags out-of-date or compromised containers. By building these habits into your routine, you keep potential hazards under control—and you help everyone stay focused on the real work at hand.

Can you provide the Material Safety Data Sheet (MSDS) for Trichlorotert Butanol BP EP USP Pharma Grade?

Access to Chemical Safety Information is Personal

Sometimes it feels like chemical safety gets treated as a checkbox exercise, but working in a lab taught me that safety doesn’t happen on paper. I remember combing through Material Safety Data Sheets late at night, highlighter in hand, prepping for a project where Trichlorotert Butanol showed up on the inventory. The file cabinet held fat binders of printed data sheets—the good stuff lurked in the details: exposure risks, recommended personal protective equipment, and the ugly scenarios if things went sideways. Without that info, anyone in the lab is taking a risk without knowing it.

Hazards Aren’t Hypothetical

Trichlorotert Butanol sounds complicated, but its risks are real. For folks in pharmaceuticals, every new batch raises the same questions: Is it flammable? Does it irritate the skin? Could inhaling a vapor send a colleague to the doctor? Data shows acute inhalation or improper skin contact with trichlorinated compounds can cause dizziness, rashes, or worse. You need facts—not bland warnings—to make real-world choices: gloves, goggles, fume hoods, maybe even closed handling systems. During my time in chemical storage, a “mild irritant” label on a container meant nothing if the MSDS told a scarier story underneath.

Laws and Trust Ride on Transparency

Regulators like OSHA and the European Chemicals Agency aren’t just filling out forms. Fines and shutdowns happen if MSDS documents aren’t available. This isn’t just red tape. Missing paperwork means workers could land in the ER, and that’s a risk no company should take. Sharing complete MSDS information proves you’re not hiding behind corporate secrets. In my own job searches, I’ve refused to work with shops that “forget” to give you these sheets. That fear of the unknown isn’t worth any paycheck.

MSDS Gaps Make Real Work Harder

I spent months helping introduce new chemicals on the production floor. Training relied on the latest MSDS, not rumor or vague handouts. New hires asked about symptoms, spill cleanup, and storage temps—and all those answers lived in that sheet. Imagine prepping an emergency drill without knowing if dousing a chemical with water causes a toxic cloud. Mistakes like that come from guessing, and the costs range from property loss to legal action.

Solutions Are Achievable, Not Out of Reach

Reliable access to safety data changes everything. Companies can get legal, up-to-date MSDS documents from each chemical supplier. Many reputable vendors provide digital sheets before shipping. Internal audits help catch missing documents. Training should build from these sheets, not just a quick presentation. Some of the best labs I’ve seen kept real-time digital MSDS libraries—no more hunting for a paper sheet when seconds count.

Safe Workplaces Start with Information

Every chemical, including Trichlorotert Butanol used in pharma-grade applications, deserves an honest, accessible MSDS. Workers on the ground remember the details that save lives because the sheet told the truth, not because the label said “handle with care.” Real safety starts with shared information and the willingness to ask, “Can I see the sheet?”

Trichlorotert Butanol BP EP USP Pharma Grade
Names
Preferred IUPAC name 2,2,2-Trichloro-2-methylpropan-1-ol
Other names 2-Methyl-2,4,4-trichloropentan-3-ol
Trichloro-tert-butyl alcohol
Trichloro-tert-Butanol
2,4,4-Trichloro-2-methyl-3-pentanol
Pronunciation /ˈtraɪ.klɔː.rəʊ.tɜːt ˈbjuː.tə.nɒl/
Identifiers
CAS Number 76-87-9
3D model (JSmol) `3D model (JSmol)` **string** for **Trichlorotert Butanol**: ``` ClC(C)(C(C)(C)O)Cl ``` This is the **SMILES** string representation commonly used in JSmol to render the 3D model.
Beilstein Reference 1718737
ChEBI CHEBI:132839
ChEMBL CHEMBL62937
ChemSpider 20975330
DrugBank DB01699
ECHA InfoCard 03-2119944336-42-0000
EC Number 200-660-3
Gmelin Reference 83460
KEGG C18693
MeSH Cresols
PubChem CID 6566
RTECS number KJ8575000
UNII H4N855PNZ1
UN number 2810
Properties
Chemical formula C4H7Cl3O
Molar mass 185.49 g/mol
Appearance White or almost white crystalline powder
Odor Odorless
Density 0.94 g/cm³
Solubility in water Soluble in water
log P 1.92
Vapor pressure 0.02 mmHg (20°C)
Acidity (pKa) 15.5
Basicity (pKb) 2.7 (pKb)
Magnetic susceptibility (χ) -6.58×10⁻⁶
Refractive index (nD) 1.420
Viscosity 6.6 mPa·s at 20°C
Dipole moment 2.38 D
Thermochemistry
Std molar entropy (S⦵298) 248.8 J·mol⁻¹·K⁻¹
Std enthalpy of formation (ΔfH⦵298) -418.7 kJ/mol
Std enthalpy of combustion (ΔcH⦵298) -2871.1 kJ/mol
Pharmacology
ATC code N05CC02
Hazards
GHS labelling GHS02, GHS05, GHS07, GHS08
Pictograms GHS06,GHS08
Signal word Danger
Hazard statements H226, H302, H315, H319, H335
Precautionary statements P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362+P364, P405, P501
Flash point 110 °C
Autoignition temperature 215°C
Lethal dose or concentration LD50 (oral, rat): 1600 mg/kg
LD50 (median dose) 1600 mg/kg (rat, oral)
NIOSH NL2975000
PEL (Permissible) Not established
REL (Recommended) 38 mg/m³
IDLH (Immediate danger) Unknown
Related compounds
Related compounds tert-Butanol
tert-Butyl chloride
Chloroform
Trichloroethanol
Trichloroacetic acid
tert-Butyl alcohol
2-Chloro-2-methylpropan-2-ol