Trifluoromethylbenzene
C7H5F3
trifluoromethylbenzene
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Identification
- CAS Number
- 98-08-8
- EC Number
- 202-635-0
- UN Number
- 2338
- Index Number
- 602-056-00-7
- PubChem CID
- 7368
Physical-chemical properties
- Molecular Formula
- C7H5F3
- Molar Mass
- 146.11 g/mol
- IUPAC Name
- trifluoromethylbenzene
Chemical Identifiers
- InChI
- InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
- InChI Key
- GETTZEONDQJALK-UHFFFAOYSA-N
Overview
Trifluoromethylbenzene (CAS 98-08-8) is an aromatic fluorinated compound featuring a benzene ring substituted with a trifluoromethyl group, exhibiting flammable and environmentally persistent properties. This specialized fluorinated aromatic compound, also known by its IUPAC designation trifluoromethylbenzene, represents a significant chemical intermediate in modern industrial chemistry. With the molecular formula C7H5F3 and a molecular weight of 146.11 g/mol, this colorless liquid combines the stability of an aromatic benzene ring with the unique electronic properties imparted by the strongly electron-withdrawing trifluoromethyl group. The compound's EC number 202-635-0 reflects its established commercial significance in European markets. Safety considerations for trifluoromethylbenzene center on its classification as a Category 2 flammable liquid, requiring appropriate fire prevention measures and storage protocols. The substance also carries an Aquatic Chronic 2 classification, indicating potential long-term environmental effects that necessitate careful handling and disposal procedures. Transport regulations classify it under ADR Class 3, requiring compliance with hazardous materials shipping requirements. Primary industrial applications include its use as a chemical intermediate in pharmaceutical synthesis, where the trifluoromethyl group's unique properties enhance drug bioavailability and metabolic stability. The compound also serves in specialty polymer production and advanced materials manufacturing. Unlike simpler hydrocarbons such as propylbenzene, trifluoromethylbenzene offers distinct electronic characteristics that make it valuable in fluorochemical synthesis pathways. OYSI maintains reliable supply chains for trifluoromethylbenzene, supporting European industrial customers with consistent quality and technical expertise for their specialized chemical requirements.
Safety & Classification
Flam. Liq. 2; Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 2338 |
| ADR Class | 3 |
| Packing Group | II |
| Tunnel Code | D/E |
| Proper Shipping Name | Benzotrifluorid |
| Marine Pollutant | No |
Frequently Asked Questions
What is trifluoromethylbenzene?
Trifluoromethylbenzene is an aromatic organofluorine compound with the molecular formula C7H5F3 and CAS number 98-08-8. This chemical consists of a benzene ring substituted with a trifluoromethyl group (-CF3), giving it unique properties due to the presence of fluorine atoms. With a molecular weight of 146.11 g/mol, it belongs to the class of fluorinated aromatic compounds that are widely used in various industrial applications requiring specific chemical and physical properties.
What are the physicochemical properties of trifluoromethylbenzene?
Trifluoromethylbenzene is a clear, colorless liquid at room temperature with a characteristic aromatic odor. The compound has a boiling point of approximately 102-104°C and is relatively insoluble in water due to its hydrophobic nature, but shows good solubility in organic solvents such as alcohols, ethers, and hydrocarbons. The presence of three fluorine atoms significantly influences its chemical stability, electron-withdrawing properties, and overall reactivity compared to unsubstituted benzene.
What is trifluoromethylbenzene used for?
Trifluoromethylbenzene is primarily used as an intermediate in pharmaceutical and agrochemical synthesis, serving as a building block for various fluorinated compounds. It finds applications in the production of specialty chemicals, including fluorinated pharmaceuticals, pesticides, and advanced materials. The compound is also utilized as a solvent in specific industrial processes and as a starting material for the synthesis of other fluorinated aromatic compounds where the trifluoromethyl group imparts desired biological or chemical properties.
How to handle trifluoromethylbenzene safely?
Trifluoromethylbenzene must be handled with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing due to its flammable nature (Flam. Liq. 2). Work should be conducted in well-ventilated areas or under fume hoods to prevent vapor accumulation. Keep away from heat sources, sparks, and open flames as the substance poses fire hazards. Ensure proper grounding of equipment to prevent static electricity buildup during transfer operations.
How to store trifluoromethylbenzene correctly?
Trifluoromethylbenzene should be stored in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight due to its flammable liquid classification. Use appropriate containers made of compatible materials and ensure proper labeling with hazard information. Storage areas must be equipped with appropriate fire suppression systems and spill containment measures. Keep containers tightly closed when not in use and separate from incompatible materials such as strong oxidizing agents.
What to do in case of contact with trifluoromethylbenzene?
In case of skin contact with trifluoromethylbenzene, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Always consult the safety data sheet for specific first aid measures.
How to dispose of trifluoromethylbenzene appropriately?
Trifluoromethylbenzene must be disposed of as hazardous waste in accordance with local, national, and European waste regulations. The substance should be collected in appropriate containers and handed over to licensed waste disposal companies for proper treatment or incineration at authorized facilities. Do not pour down drains or release into the environment due to its Aquatic Chronic 2 classification. Contaminated packaging should also be treated as hazardous waste and disposed of accordingly.
How to transport trifluoromethylbenzene?
Trifluoromethylbenzene is classified as ADR Class 3 (flammable liquids), Packing Group II, requiring specific transport regulations and packaging standards. Transportation must comply with ADR/RID regulations for dangerous goods, using appropriate UN-specification packaging and proper labeling with GHS02 and GHS09 pictograms. Vehicles must be equipped with appropriate safety equipment and drivers must have proper dangerous goods training. Transport documents must include all required hazard information and emergency response procedures.
Is trifluoromethylbenzene subject to specific regulations?
Trifluoromethylbenzene is subject to various European chemical regulations including REACH registration requirements and CLP classification standards. The substance is classified under GHS with the signal word 'Danger' and specific hazard classes (Flam. Liq. 2, Aquatic Chronic 2). It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with occupational safety regulations, environmental protection laws, and proper hazard communication requirements including safety data sheet provision.
Where to buy trifluoromethylbenzene in Europe?
Trifluoromethylbenzene is available through OYSI, a European chemical distributor specializing in technical and specialty chemicals. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical supplier, OYSI ensures product quality, appropriate packaging, and adherence to all transport and safety regulations. Contact OYSI directly for availability, specifications, and delivery options to meet your specific industrial requirements.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.