Description

4-Chloro-2-fluorobenzoyl chloride (CAS No. 394-39-8) is a highly reactive and versatile aromatic acyl chloride with the molecular formula C₇H₃Cl₂FO. This compound is a valuable building block in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. Its structure features both chloro and fluoro substituents, which enhance its reactivity and utility in nucleophilic substitution reactions. The product is supplied as a clear to pale yellow liquid with a pungent odor, and it should be handled under inert conditions due to its sensitivity to moisture. Ideal for researchers and industrial chemists, this high-purity reagent is rigorously tested for quality and consistency, ensuring reliable performance in demanding synthetic applications.

Properties

• CAS Number: 394-39-8
• Complexity: 163
• IUPAC Name: 4-chloro-2-fluoro-benzoyl chloride
• InChI: InChI=1S/C7H3Cl2FO/c8-4-1-2-5(7(9)11)6(10)3-4/h1-3H
• InChI Key: PWHFJLCMUCFYRQ-UHFFFAOYSA-N
• Exact Mass: 191.9544983
• Molecular Formula: C7H3Cl2FO
• Molecular Weight: 193.00
• SMILES: C1=CC(=C(C=C1Cl)F)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 191.9544983
• Synonyms: 4-Chloro-2-fluorobenzoyl chloride, 394-39-8, Benzoyl chloride, 4-chloro-2-fluoro-, DTXSID10378585, DTXCID50329612, 609-681-4, 2-fluoro-4-chlorobenzoyl chloride, 4-chloro-2-fluoro-benzoyl chloride, MFCD03093845, SCHEMBL645757, 2-fluoro-4-chlorobenzoylchloride, 4-chloro-2-fluorobenzoylchloride, 2-fluoro4-chloro-benzoyl chloride, PWHFJLCMUCFYRQ-UHFFFAOYSA-N, 2-fluoro-4-chloro-benzoyl chloride, SBB067912, AKOS007930521, PS-10775, DB-021074, E85346

Application

4-Chloro-2-fluorobenzoyl chloride is widely used as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and agrochemicals. Its reactivity makes it suitable for Friedel-Crafts acylation and other electrophilic aromatic substitution reactions. This compound is also employed in the preparation of dyes, liquid crystals, and advanced materials. Researchers value it for introducing the 4-chloro-2-fluorobenzoyl moiety into complex molecules, enabling further functionalization. Proper handling under anhydrous conditions is essential to maintain its stability and reactivity.

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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