Description

2-Fluoro-3-(trifluoromethyl)benzoyl chloride (CAS No. 208173-19-7) is a high-purity fluorinated benzoyl chloride derivative with the molecular formula C₈H₃ClF₄O. This specialized reagent is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive acyl chloride functional group and trifluoromethyl-fluoro substitution pattern. The compound exhibits excellent reactivity in nucleophilic acyl substitution reactions, enabling the synthesis of amides, esters, and other derivatives. Its unique fluorinated structure enhances lipophilicity and metabolic stability, making it valuable in medicinal chemistry for drug discovery. Our product is rigorously tested to ensure ≥98% purity (by GC/HPLC) and is supplied in moisture-free packaging under inert gas to maintain stability. Store in a cool, dry place away from moisture and amines.

Properties

• CAS Number: 208173-19-7
• Complexity: 228
• IUPAC Name: 2-fluoro-3-(trifluoromethyl)benzoyl chloride
• InChI: InChI=1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(6(4)10)8(11,12)13/h1-3H
• InChI Key: RIKGRFSGIOOYEK-UHFFFAOYSA-N
• Exact Mass: 225.9808551
• Molecular Formula: C8H3ClF4O
• Molecular Weight: 226.55
• SMILES: C1=CC(=C(C(=C1)C(F)(F)F)F)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 225.9808551
• Synonyms: 2-Fluoro-3-(trifluoromethyl)benzoyl chloride, 208173-19-7, DTXSID70372140, DTXCID30323173, 632-655-9, rikgrfsgiooyek-uhfffaoysa-n, 2-fluoro-3-trifluoromethylbenzoyl chloride, Benzoyl chloride, 2-fluoro-3-(trifluoromethyl)-, 2-fluoro-3-(trifluoromethyl)benzoylchloride, MFCD00061154, 2-fluoro-3(trifluoromethyl)benzoyl chloride, 2-fluoro-3-trifluoromethyl-benzoyl chloride, 2-fluoro-3-(trifluoromethyl)-benzoyl chloride, alpha,alpha,alpha,2-Tetrafluoro-m-toluoyl Chloride, SCHEMBL283643, CK1096, SBB067920, AKOS015853282, 2-fluoro-3-trifluoromethylbenzoylchloride, PS-10735, 2-fluoro-3-trifluoromethyl benzoyl chloride, DB-021067, 2-fluoro-3-tirfluoromethane benzoyl chloride, F0762, 2-Fluoro-3-(trifluoromethyl)benzoyl chloride, 98%

Application

2-Fluoro-3-(trifluoromethyl)benzoyl chloride serves as a key building block in the synthesis of fluorinated pharmaceutical intermediates, particularly for kinase inhibitors and CNS-targeting drugs. It is employed in peptide coupling reactions and as a derivatization agent for analytical chemistry. The trifluoromethyl group enhances bioavailability in agrochemical research, while the fluorine substitution allows for ¹⁸F radiolabeling in PET tracer development.

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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