Description

2-Chloro-4-fluorobenzoyl chloride (CAS 21900-54-9) is a highly reactive and versatile benzoyl chloride derivative with the molecular formula C₇H₃Cl₂FO. This organofluorine compound is a clear to pale yellow liquid under standard conditions, widely utilized as a key intermediate in pharmaceutical, agrochemical, and specialty chemical synthesis. Its bifunctional reactivity (acyl chloride + aryl halide) enables selective derivatization in complex organic transformations.

Technical specifications include a molecular weight of 193.00 g/mol, boiling point of approximately 210-215°C, and density of ~1.48 g/cm³. The compound should be stored under inert atmosphere at 2-8°C due to moisture sensitivity. Our product is supplied with comprehensive analytical documentation including GC purity (>98%), NMR, and MS spectra for quality verification.

Special handling precautions are required: reacts violently with water, alcohols, and amines. Suitable for use in Schotten-Baumann reactions, Friedel-Crafts acylation, and as a precursor for bioactive molecules. Available in research quantities (100mg to 1kg) with custom bulk packaging options.

Properties

• CAS Number: 21900-54-9
• Complexity: 163
• IUPAC Name: 2-chloro-4-fluoro-benzoyl chloride
• InChI: InChI=1S/C7H3Cl2FO/c8-6-3-4(10)1-2-5(6)7(9)11/h1-3H
• InChI Key: POIAZJJVWRVLBO-UHFFFAOYSA-N
• Exact Mass: 191.9544983
• Molecular Formula: C7H3Cl2FO
• Molecular Weight: 193.00
• SMILES: C1=CC(=C(C=C1F)Cl)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 191.9544983
• Synonyms: 2-Chloro-4-fluorobenzoyl chloride, 21900-54-9, DTXSID90371433, DTXCID10322467, 623-229-3, 2-chloro-4-fluorobenzoylchloride, 2-chloro-4-fluoro-benzoyl chloride, Benzoyl chloride,2-chloro-4-fluoro-, 2-chloro-4-fluorobenzene-1-carbonyl chloride, MFCD00084954, BENZOYL CHLORIDE, 2-CHLORO-4-FLUORO-, SCHEMBL106341, 2chloro-4-fluorobenzoyl chloride, 4-fluoro-2-chlorobenzoyl chloride, 2-cloro-4-fluoro-benzoyl chloride, 2-chloro -4-fluorobenzoyl chloride, SBB067906, AKOS009158481, 2-Chloro-4-fluorobenzoyl chloride, 97%, FC105230, SY018957, DB-045726, C2697, EN300-1262987, 11E-036, F2190-0148

Application

This benzoyl chloride derivative serves as a critical building block in medicinal chemistry for constructing fluorinated drug scaffolds, particularly in CNS-active compounds and kinase inhibitors. In material science, it’s employed as a monomer for specialty polymers with enhanced thermal stability. The compound also finds use in synthesizing liquid crystal materials and as an intermediate for agricultural chemicals.

Safety and Hazards

GHS Hazard Statements

• H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (89.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (87%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (89.1%)

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