Description

2-Chloro-5-fluorobenzoyl chloride (CAS No. 21900-51-6) is a highly reactive and versatile organic compound with the molecular formula C₇H₃Cl₂FO. This aromatic acyl chloride features both chloro and fluoro substituents, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is characterized by its clear to pale yellow liquid appearance and must be handled under inert conditions due to its sensitivity to moisture.

With a purity of ≥98%, this reagent is ideal for nucleophilic acyl substitution reactions, including the synthesis of amides, esters, and other derivatives. Its unique halogenated structure enables selective functionalization in complex molecular architectures. Packaged in amber glass bottles under nitrogen atmosphere to ensure stability, this product is suitable for high-precision applications in medicinal chemistry, agrochemical development, and material science.

Key Features:

• High reactivity as an acylating agent
• Halogen-rich structure for diverse derivatization
• Strict quality control with batch-specific certificates of analysis
• Compatible with Schlenk line techniques for air-sensitive reactions

Properties

• CAS Number: 21900-51-6
• Complexity: 163
• IUPAC Name: 2-chloro-5-fluoro-benzoyl chloride
• InChI: InChI=1S/C7H3Cl2FO/c8-6-2-1-4(10)3-5(6)7(9)11/h1-3H
• InChI Key: SGZSJPBASHYOHQ-UHFFFAOYSA-N
• Exact Mass: 191.9544983
• Molecular Formula: C7H3Cl2FO
• Molecular Weight: 193.00
• SMILES: C1=CC(=C(C=C1F)C(=O)Cl)Cl
• Topological: 17.1
• Monoisotopic Mass: 191.9544983
• Synonyms: 2-Chloro-5-fluorobenzoyl chloride, 21900-51-6, DTXSID70373935, DTXCID70324967, 640-730-2, 2-chloro-5-fluorobenzoylchloride, BENZOYL CHLORIDE, 2-CHLORO-5-FLUORO-, 5-fluoro-2-chlorobenzoyl chloride, MFCD01631417, SCHEMBL477556, SGZSJPBASHYOHQ-UHFFFAOYSA-N, 2-chloro-5-fluoro-benzoyl chloride, SBB067925, AKOS005257932, DA-26469, PS-10784, H41348, EN300-1459140

Application

2-Chloro-5-fluorobenzoyl chloride serves as a critical building block in pharmaceutical synthesis, particularly for introducing benzoyl groups with halogenated motifs into drug candidates. It is extensively used in the preparation of protease inhibitors and kinase-targeting compounds due to its electron-withdrawing properties. The compound also finds application in polymer chemistry as a monomer for specialty polyesters and polyamides. Researchers utilize this reagent for synthesizing fluorescent probes and liquid crystal materials, leveraging its halogen-directed reactivity.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)
• Eye Irrit. 2 (14.3%)
• STOT SE 3 (14.3%)

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