Description

1-Fluoro-2-(trifluoromethyl)benzene (CAS No. 392-85-8) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₄F₄. This specialty chemical is characterized by its unique structure, featuring a fluorine atom and a trifluoromethyl group adjacent on the benzene ring, making it a valuable intermediate in organic synthesis and material science. It is supplied as a clear, colorless to pale yellow liquid with excellent stability under recommended storage conditions. Ideal for researchers and industrial applications, this compound is rigorously tested for purity (typically ≥98% by GC) and consistency, ensuring reliable performance in demanding environments. Proper handling under inert conditions is advised due to its reactive functional groups.

Properties

• CAS Number: 392-85-8
• Complexity: 129
• IUPAC Name: 1-fluoro-2-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
• InChI Key: BGVGHYOIWIALFF-UHFFFAOYSA-N
• Exact Mass: 164.02491278
• Molecular Formula: C7H4F4
• Molecular Weight: 164.10
• SMILES: C1=CC=C(C(=C1)C(F)(F)F)F
• Monoisotopic Mass: 164.02491278
• Synonyms: 2-Fluorobenzotrifluoride, 392-85-8, 1-Fluoro-2-(trifluoromethyl)benzene, o-Fluorobenzotrifluoride, Benzene, 1-fluoro-2-(trifluoromethyl)-, NSC 10314, o,alpha,alpha,alpha-Tetrafluorotoluene, EINECS 206-880-4, DTXSID6059940, DTXCID9039606, inchi=1/c7h4f4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4, 1-FLUORO-2-TRIFLUOROMETHYLBENZENE, alpha,alpha,alpha,2-Tetrafluorotoluene, MFCD00000374, 1-fluoro-2-trifluoromethyl-benzene, 2-fluoro-1-(trifluoromethyl)benzene, Benzene, fluoro(trifluoromethyl)-, alpha,alpha,alpha,Ar-Tetrafluorotoluene, NSC10314, o-trifluoromethylfluorobenzene, SCHEMBL81363, SCHEMBL81364, SCHEMBL101627, SCHEMBL147600, SCHEMBL169053, 2-Fluorobenzotrifluoride, 99%, SCHEMBL1509972, 2-fluoro-(trifluoromethyl)benzene, JHDLVVSXLOTMIE-UHFFFAOYSA-N, NSC-10314, SBB087760, 1-fluoro-2-(trifluoromethyl)-benzene, o,.alpha.,.alpha.-Tetrafluorotoluene, AKOS009158358, CS-W016093, Toluene,.alpha.,.alpha.,o-tetrafluoro-, AC-23630, PS-11776, DB-330347, F0389, NS00042660, ST50406530, EN300-61892, o,.alpha.,.alpha.,.alpha.-Tetrafluorotoluene, Toluene, .alpha.,.alpha.,.alpha.,o-tetrafluoro-, Toluene, o,.alpha.,.alpha.,.alpha.-tetrafluoro-, Z975844608

Application

1-Fluoro-2-(trifluoromethyl)benzene is widely used as a key building block in pharmaceutical and agrochemical synthesis, particularly for introducing fluorinated motifs that enhance bioavailability. It serves as a precursor in the development of liquid crystals and advanced polymers with tailored thermal and chemical resistance. Additionally, this compound finds utility in catalysis research and as a reagent for nucleophilic aromatic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 2 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (97.8%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.