Description

2-(Trifluoromethoxy)benzoyl Chloride (CAS: 162046-61-9) is a high-purity, reactive organic compound with the molecular formula C₈H₄ClF₃O₂. This specialized benzoyl chloride derivative features a trifluoromethoxy group at the ortho position, enhancing its utility in advanced synthetic applications. Ideal for pharmaceutical intermediates, agrochemical synthesis, and material science research, this compound is rigorously tested for consistency and purity (typically ≥95-98% by GC/HPLC). It is supplied in moisture-sensitive packaging under inert gas to ensure stability. Handle with care in a controlled environment due to its reactivity with nucleophiles and moisture. Available in research quantities (100mg to 10kg) with customizable bulk options.

Properties

• CAS Number: 162046-61-9
• Complexity: 217
• IUPAC Name: 2-(trifluoromethoxy)benzoyl chloride
• InChI: InChI=1S/C8H4ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4H
• InChI Key: KSHPWYXAJJCUMJ-UHFFFAOYSA-N
• Exact Mass: 223.9851915
• Molecular Formula: C8H4ClF3O2
• Molecular Weight: 224.56
• SMILES: C1=CC=C(C(=C1)C(=O)Cl)OC(F)(F)F
• Topological: 26.3
• Monoisotopic Mass: 223.9851915
• Synonyms: 2-(Trifluoromethoxy)benzoyl Chloride, 162046-61-9, DTXSID60380431, DTXCID50331457, 642-457-4, Benzoyl chloride, 2-(trifluoromethoxy)-, 2-Trifluoromethoxybenzoyl chloride, 2-(trifluoromethoxy)benzoylchloride, 2-(trifluoromethoxy)-benzoyl chloride, o-trifluoromethoxybenzoyl chloride, Trifluoromethoxybenzoyl chloride, MFCD00052330, SCHEMBL249223, o-trifluoromethoxybenzoylchloride, 2-trifluoromethoxy-benzoyl chloride, SBB067907, 2-(trifluoro methoxy)benzoyl chloride, 2-(trifluoromethoxy) benzoyl chloride, 2-(trifluoromethyloxy)benzoyl chloride, AKOS005258115, BP-13006, PS-10745, T2340, F21468, EN300-7408000, A810329

Application

2-(Trifluoromethoxy)benzoyl Chloride serves as a key building block in the synthesis of fluorinated pharmaceuticals, particularly for introducing the trifluoromethoxybenzoyl moiety into target molecules. It is employed in peptide coupling reactions and as an intermediate for herbicides and fungicides in agrochemical research. The compound’s electron-withdrawing properties make it valuable in materials science for modifying polymer backbones or creating specialty coatings.

Safety and Hazards

GHS Hazard Statements

• H226 (84.8%): Flammable liquid and vapor [Warning Flammable liquids]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (84.8%)
• Skin Corr. 1B (100%)

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