Description

3-Chloro-4-fluorobenzoyl Chloride (CAS No. 65055-17-6) is a highly reactive organic compound with the molecular formula C₇H₃Cl₂FO. This benzoyl chloride derivative is characterized by its chloro and fluoro substituents at the 3- and 4-positions of the benzene ring, respectively, making it a valuable intermediate in synthetic organic chemistry. It is typically 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 and air. Ideal for researchers and industrial chemists, this compound is widely used in the synthesis of pharmaceuticals, agrochemicals, and specialty materials. Store in a cool, dry place, sealed under nitrogen or argon to prevent decomposition.

Properties

• CAS Number: 65055-17-6
• Complexity: 163
• IUPAC Name: 3-chloro-4-fluoro-benzoyl chloride
• InChI: InChI=1S/C7H3Cl2FO/c8-5-3-4(7(9)11)1-2-6(5)10/h1-3H
• InChI Key: DLZUHSFUBZTBQZ-UHFFFAOYSA-N
• Exact Mass: 191.9544983
• Molecular Formula: C7H3Cl2FO
• Molecular Weight: 193.00
• SMILES: C1=CC(=C(C=C1C(=O)Cl)Cl)F
• Topological: 17.1
• Monoisotopic Mass: 191.9544983
• Synonyms: 3-Chloro-4-fluorobenzoyl chloride, 65055-17-6, Benzoyl chloride, 3-chloro-4-fluoro-, RT32VVA3XP, DTXSID7049344, DTXCID4029301, CHEMBL-3187775, 642-814-4, 4-fluoro-3-chlorobenzoyl chloride, 3-chloro-4-fluorobenzoylchloride, 3-Chloro-4-fluoro benzoyl chloride, 3-chloro-4-fluoro-benzoyl chloride, MFCD00236215, UNII-RT32VVA3XP, SCHEMBL193605, CHEMBL3187775, Tox21_202979, SBB067892, AKOS006230401, FC64270, JS-4105, NCGC00260525-01, 3-Chloro-4-fluorobenzoyl chloride, 97%, CAS-65055-17-6, C2122

Application

3-Chloro-4-fluorobenzoyl chloride is primarily used as a key building block in the synthesis of active pharmaceutical ingredients (APIs) and fine chemicals. It serves as an acylating agent in the preparation of amides, esters, and other derivatives through nucleophilic substitution reactions. This compound is particularly valuable in medicinal chemistry for the development of novel drug candidates targeting various therapeutic areas. Additionally, it finds applications in material science for the modification of polymers and coatings.

Safety and Hazards

GHS Hazard Statements

• H290 (14.3%): May be corrosive to metals [Warning Corrosive to Metals]
• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

Precautionary Statements

• P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (14.3%)
• Skin Corr. 1B (100%)
• Eye Dam. 1 (14.3%)

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