Description

4-(Trifluoromethyl)benzoyl chloride (CAS No. 329-15-7) is a highly reactive organofluorine compound with the molecular formula C₈H₄ClF₃O. This aromatic acyl chloride is widely used as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The trifluoromethyl group enhances the compound’s lipophilicity and metabolic stability, making it valuable in drug discovery and material science applications. It appears as a colorless to pale yellow liquid with a pungent odor and must be handled under inert conditions due to its moisture sensitivity. Store in a cool, dry place, preferably under nitrogen or argon, and use appropriate personal protective equipment (PPE) during handling. Purity: ≥97% (GC).

Properties

• CAS Number: 329-15-7
• Complexity: 194
• IUPAC Name: 4-(trifluoromethyl)benzoyl chloride
• InChI: InChI=1S/C8H4ClF3O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H
• InChI Key: OXZYBOLWRXENKT-UHFFFAOYSA-N
• Exact Mass: 207.9902769
• Molecular Formula: C8H4ClF3O
• Molecular Weight: 208.56
• SMILES: C1=CC(=CC=C1C(=O)Cl)C(F)(F)F
• Topological: 17.1
• Monoisotopic Mass: 207.9902769
• Synonyms: 4-(Trifluoromethyl)benzoyl chloride, 329-15-7, p-(Trifluoromethyl)benzoyl chloride, Benzoyl chloride, 4-(trifluoromethyl)-, p-Trifluoromethylbenzoyl chloride, 4-trifluoromethylbenzoyl chloride, EINECS 206-342-9, NSC 88292, DTXSID6059817, OXZYBOLWRXENKT-UHFFFAOYSA-, DTXCID2038603, inchi=1/c8h4clf3o/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4h, oxzybolwrxenkt-uhfffaoysa-n, 4-(Trifluoromethyl)benzoylchloride, alpha,alpha,alpha-Trifluoro-p-toluoyl chloride, p-Trifluoromethyl benzoic acid chloride, MFCD00000694, 4-Trifluoromethyl-benzoyl chloride, 4-(Trifluoromethtyl)benzoyl chloride, p-Toluoyl chloride, alpha,alpha,alpha-trifluoro-, NCIOpen2_005266, SCHEMBL68177, 4-trifluoromethylbenzoylchloride, 4-trifluromethylbenzoyl chloride, p-trifluoromethyl benzoylchloride, 4-trifluoromethyl benzoylchloride, 4-trifluoromethyl-benzoylchloride, p-trifluoromethyl benzoyl chloride, p-trifluoromethyl-benzoyl chloride, 4(trifluoromethyl)benzoyl chloride, 4-trifluoromethyl benzoyl chloride, 4-(trifluoromethy)benzoyl chloride, 4-(trifluoromethyi)benzoyi chloride, NSC88292, p-(trifluoromethyl)-benzoyl chloride, 4-(trifluoromethyl)-benzoyl chloride, CK1094, NSC-88292, SBB003467, 4-Trifluoromethylbenzoic acid chloride, AKOS000121329, 4-trifluoromethyl-benzoic acid chloride, 4-trifluoromethylphenylcarbonyl chloride, FT64293, 4-trifluoromethyl-phenylcarbonyl chloride, AC-26043, 4-(Trifluoromethyl)benzoyl chloride, 97%, NS00041539, ST51039941, T1301, .alpha.,.alpha.-Trifluoro-p-toluoyl chloride, EN300-21277, 2H-049, 4-(Trifluoromethyl)-1-benzenecarbonyl chloride, p-Toluoyl chloride,.alpha.,.alpha.-trifluoro-, doi:10.14272/OXZYBOLWRXENKT-UHFFFAOYSA-N.1, .alpha.,.alpha.,.alpha.-Trifluoro-p-toluoyl chloride, F2190-0083, p-Toluoyl chloride, .alpha.,.alpha.,.alpha.-trifluoro-

4-(Trifluoromethyl)benzoyl chloride is primarily employed as a versatile building block in the synthesis of amides, esters, and ketones via nucleophilic acyl substitution reactions. It is extensively used in pharmaceutical research for the preparation of bioactive molecules, including enzyme inhibitors and receptor modulators. The compound also finds applications in the development of liquid crystals, advanced polymers, and agrochemicals due to its electron-withdrawing trifluoromethyl group.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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