Trifluoromethylbenzene

C7H5F3

trifluoromethylbenzene

CAS98-08-8
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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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 with high chemical stability and distinctive flammable properties. This specialized aromatic compound, also known by its EC number 202-635-0, represents a crucial intermediate in fluorine chemistry applications. With its molecular formula C7H5F3 and molecular weight of 146.11 g/mol, trifluoromethylbenzene features a benzene ring substituted with a trifluoromethyl group (-CF3), which imparts unique chemical and physical properties that make it valuable across various industrial sectors. The compound exhibits significant flammability characteristics, classified as Flammable Liquid Category 2 under GHS regulations, requiring careful handling protocols and appropriate fire prevention measures. Its environmental profile indicates potential for long-term aquatic effects, classified as Aquatic Chronic 2, necessitating proper containment and disposal procedures. The substance falls under ADR Class 3 for transportation, reflecting its flammable nature and requiring compliance with specific shipping regulations. Industrial applications of trifluoromethylbenzene span pharmaceutical intermediates, agrochemical synthesis, and specialty polymer production. Its fluorinated structure provides enhanced metabolic stability in pharmaceutical compounds, while its chemical inertness makes it suitable for specialized solvent applications. The compound serves as a building block for various fluorinated materials, similar to how other fluorinated aromatics function in specialty chemical synthesis, though distinct from simpler hydrocarbons like propylbenzene in terms of reactivity and applications. Safety considerations include proper ventilation, fire prevention measures, and environmental protection protocols during handling and storage. Personal protective equipment and emergency response procedures are essential given its flammable classification. OYSI maintains reliable supply chains for trifluoromethylbenzene to support European industrial customers requiring consistent access to this specialized fluorinated aromatic compound.

Safety & Classification

Danger
Classification:

Flam. Liq. 2; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H225

Highly flammable liquid and vapour.

H411

Toxic to aquatic life with long lasting effects.

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 Number2338
ADR Class3
Packing GroupII
Tunnel CodeD/E
Proper Shipping NameBenzotrifluorid
Marine PollutantNo

Frequently Asked Questions

What is trifluoromethylbenzene?

Trifluoromethylbenzene is an aromatic organic 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 a molecular weight of 146.11 g/mol. It belongs to the class of fluorinated aromatic compounds and is classified as a flammable liquid with potential chronic aquatic toxicity.

What are the physicochemical properties of trifluoromethylbenzene?

Trifluoromethylbenzene is a colorless liquid at room temperature with a characteristic aromatic odor. It has low solubility in water due to its hydrophobic nature but is miscible with most organic solvents. The compound exhibits typical properties of fluorinated aromatics, including chemical stability and relatively high vapor pressure. Its trifluoromethyl substitution significantly influences its physical properties compared to unsubstituted benzene.

What is trifluoromethylbenzene used for?

Trifluoromethylbenzene serves primarily as an intermediate in pharmaceutical and agrochemical synthesis, particularly for introducing trifluoromethyl groups into target molecules. It is used in the production of specialty chemicals, pharmaceutical intermediates, and as a solvent in specific chemical reactions. The compound also finds applications in materials science for developing fluorinated polymers and in research laboratories as a reagent for organic synthesis.

How to handle trifluoromethylbenzene safely?

Trifluoromethylbenzene requires careful handling due to its flammable nature and potential health hazards. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and work in well-ventilated areas or under fume hoods. Avoid ignition sources, ensure proper grounding of equipment, and use explosion-proof electrical equipment. Handle containers carefully to prevent spills and maintain emergency procedures readily available.

How to store trifluoromethylbenzene correctly?

Trifluoromethylbenzene must be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Use original containers or approved flammable liquid storage containers, ensuring they are tightly sealed and properly labeled. Store away from oxidizing agents and incompatible materials. Maintain storage temperatures below recommended limits and implement appropriate fire prevention measures in storage areas.

What to do in case of contact with trifluoromethylbenzene?

Trifluoromethylbenzene contact requires immediate action depending on exposure route. For skin contact, remove contaminated clothing and wash thoroughly with soap and water. In case of eye contact, rinse immediately with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. For ingestion, do not induce vomiting and seek medical attention. Always consult safety data sheets for complete emergency procedures.

How to dispose of trifluoromethylbenzene properly?

Trifluoromethylbenzene disposal must comply with local, national, and EU waste regulations as it is classified as hazardous waste. Contact licensed waste disposal companies specialized in handling flammable and potentially toxic substances. Never dispose of in regular waste streams, sewers, or water bodies due to its chronic aquatic toxicity classification. Maintain proper documentation of waste disposal and follow REACH and CLP regulation requirements.

How to transport trifluoromethylbenzene?

Trifluoromethylbenzene is classified under ADR Class 3 (flammable liquids), Packing Group II, requiring specific transport protocols. Use approved packaging and containers designed for flammable liquids, with proper labeling including GHS02 and GHS09 pictograms and 'Danger' signal word. Ensure transport vehicles meet ADR requirements for Class 3 substances, including appropriate safety equipment and driver certification for hazardous materials transport.

Is trifluoromethylbenzene subject to specific regulations?

Trifluoromethylbenzene is subject to EU REACH and CLP regulations requiring registration, classification, and labeling compliance. It is not currently listed as a SVHC (Substance of Very High Concern). Companies must ensure proper safety data sheets, hazard communication, and risk assessments. Transport is regulated under ADR, and workplace exposure limits may apply under occupational health regulations in EU member states.

Where to buy trifluoromethylbenzene in Europe?

Trifluoromethylbenzene is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers across Europe. OYSI provides quality chemical products with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, technical specifications, and pricing information. Ensure your supplier meets all REACH registration requirements and provides appropriate hazard classification documentation.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.