Description

3,5-Bis(trifluoromethyl)benzoyl chloride (CAS No. 785-56-8) is a highly reactive and versatile organofluorine compound with the molecular formula C₉H₃ClF₆O. This acyl chloride derivative features two trifluoromethyl groups at the 3 and 5 positions of the benzene ring, enhancing its electron-withdrawing properties and making it a valuable intermediate in organic synthesis. The compound is a clear to pale yellow liquid with a pungent odor, typically stored under inert conditions to prevent hydrolysis. It is widely used in pharmaceuticals, agrochemicals, and advanced material research due to its ability to introduce the bis(trifluoromethyl)benzoyl moiety into target molecules. Suitable for use in Grignard reactions, Friedel-Crafts acylation, and amide couplings, this high-purity reagent is ideal for researchers requiring precise and reliable performance in demanding synthetic applications.

Properties

• CAS Number: 785-56-8
• Complexity: 275
• IUPAC Name: 3,5-bis(trifluoromethyl)benzoyl chloride
• InChI: InChI=1S/C9H3ClF6O/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3H
• InChI Key: WAKMMQSMEDJRRI-UHFFFAOYSA-N
• Exact Mass: 275.9776614
• Molecular Formula: C9H3ClF6O
• Molecular Weight: 276.56
• SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 275.9776614
• Synonyms: 3,5-Bis(trifluoromethyl)benzoyl chloride, 785-56-8, Benzoyl chloride, 3,5-bis(trifluoromethyl)-, 3,5-di(Trifluoromethyl)benzoyl chloride, EINECS 212-322-0, WAKMMQSMEDJRRI-UHFFFAOYSA-, DTXSID30229126, DTXCID50151617, 212-322-0, inchi=1/c9h3clf6o/c10-7(17)4-1-5(8(11,12)13)3-6(2-4)9(14,15)16/h1-3h, wakmmqsmedjrri-uhfffaoysa-n, 3,5-bis(trifluoromethyl)benzoylchloride, MFCD00000387, 3,5-bis-trifluoromethylbenzoyl chloride, SCHEMBL322157, STR04378, SBB006571, 3,5-bis-trifluoromethylbenzoylchloride, 3,5-bistrifluoromethyl benzoylchloride, 3,5-bistrifluoromethylbenzoyl chloride, AKOS005259939, 3,5 di(trifluormethyl)benzoyl chloride, 3,5-bistrifluoromethyl benzoyl chloride, 3,5-bistrifluoromethyl-benzoyl chloride, 3,5-Bis trifluoromethyl benzoyl chloride, 3,5-Bis-trifluoromethyl-benzoyl chloride, 3,5-bis trifluoro methyl benzoyl chloride, 3,5-bis(trifluoro-methyl)benzoyl chloride, 3,5-bis(trifluoromethyl) benzoyl chloride, 3,5-bis(trifluoromethyl)-benzoyl chloride, 3,5-bis-(trifluoromethyl)benzoyl chloride, DB-021976, B2000, NS00042218, ST51039904, 3,5-Bis(trifluoromethyl)benzoyl chloride, 97%, F2190-0084

Application

3,5-Bis(trifluoromethyl)benzoyl chloride is primarily employed as a key building block in the synthesis of pharmaceuticals and agrochemicals, where its trifluoromethyl groups enhance metabolic stability and bioavailability. It serves as an intermediate in the preparation of active ingredients for herbicides, fungicides, and anti-inflammatory drugs. The compound is also utilized in materials science for modifying polymers and coatings to improve chemical resistance and thermal stability.

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. 1C (100%)

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