Description

3,4-Difluorobenzoyl chloride (CAS No. 76903-88-3) is a high-purity organic compound with the molecular formula C₇H₃ClF₂O, widely used in pharmaceutical and agrochemical synthesis. This reactive acyl chloride derivative features two fluorine atoms at the 3- and 4-positions of the benzene ring, enhancing its electrophilic character for nucleophilic substitution reactions. Supplied as a clear to pale-yellow liquid under inert conditions, it is moisture-sensitive and typically stored under anhydrous environments to prevent hydrolysis. Ideal for peptide coupling, amide formation, and polymer modification, this compound is rigorously tested via GC, NMR, and HPLC to ensure ≥98% purity. Compatible with Schlenk line techniques, it is packaged in sealed glass ampoules or under nitrogen in flame-sealed bottles to guarantee stability.

Properties

• CAS Number: 76903-88-3
• Complexity: 163
• IUPAC Name: 3,4-difluorobenzoyl chloride
• InChI: InChI=1S/C7H3ClF2O/c8-7(11)4-1-2-5(9)6(10)3-4/h1-3H
• InChI Key: RPQWXGVZELKOEU-UHFFFAOYSA-N
• Exact Mass: 175.9840487
• Molecular Formula: C7H3ClF2O
• Molecular Weight: 176.55
• SMILES: C1=CC(=C(C=C1C(=O)Cl)F)F
• Topological: 17.1
• Monoisotopic Mass: 175.9840487
• Synonyms: 3,4-Difluorobenzoyl chloride, 76903-88-3, Benzoyl chloride, 3,4-difluoro-, EINECS 278-570-7, DTXSID30227703, DTXCID40150194, 278-570-7, 3,4-difluorobenzoylchloride, MFCD00009930, 3,4-difluoro-benzoyl chloride, 3,4-DIFLUORO BENZOYL CHLORIDE, 3,4 difluorobenzoylchloride, 3,4-diflorobenzoyl chloride, 3,4-difluorobezoyl chloride, 3,4-diflourobenzoyl chloride, SCHEMBL192962, CS-M0979, 3,4-Difluorobenzoyl chloride, 98%, BBL027768, SBB006722, STL374079, AKOS009157018, PS-10782, SY021824, D2847, NS00058199, F2190-0069

Application

3,4-Difluorobenzoyl chloride serves as a key intermediate in the synthesis of fluorinated active pharmaceutical ingredients (APIs), particularly kinase inhibitors and antipsychotic agents. Its reactivity enables efficient acylation of amines and alcohols to construct complex heterocycles in medicinal chemistry. The compound is also employed in material science for modifying polymer backbones to enhance thermal and chemical resistance.

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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