Description

4-(Chloromethyl)benzoyl chloride (CAS No. 876-08-4) is a highly reactive organic compound with the molecular formula C₈H₆Cl₂O. This aromatic acyl chloride features both a chloromethyl (-CH₂Cl) and a benzoyl chloride (-COCl) functional group, making it a versatile intermediate for synthetic organic chemistry applications. The compound appears as a colorless to pale yellow liquid with a pungent odor and should be handled with care due to its moisture sensitivity and corrosive nature. It is commonly used in the synthesis of pharmaceuticals, agrochemicals, and specialty polymers. Store under inert conditions (argon or nitrogen) in a cool, dry place to prevent hydrolysis. Purity levels typically exceed 98% (GC), with technical grades also available for industrial applications.

Properties

• CAS Number: 876-08-4
• Complexity: 139
• IUPAC Name: 4-(chloromethyl)benzoyl chloride
• InChI: InChI=1S/C8H6Cl2O/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2
• InChI Key: RCOVTJVRTZGSBP-UHFFFAOYSA-N
• Exact Mass: 187.9795702
• Molecular Formula: C8H6Cl2O
• Molecular Weight: 189.04
• SMILES: C1=CC(=CC=C1CCl)C(=O)Cl
• Topological: 17.1
• Monoisotopic Mass: 187.9795702
• Synonyms: 4-(Chloromethyl)benzoyl chloride, 876-08-4, Benzoyl chloride, 4-(chloromethyl)-, 944K6CA5WU, EINECS 212-881-0, NSC-508741, DTXSID20236501, NSC 508741, P-(CHLOROMETHYL)BENZOYL CHLORIDE, .ALPHA.-CHLORO-P-TOLUOYL CHLORIDE, DTXCID80158992, ALPHA-CHLORO-P-TOLUOYL CHLORIDE, 212-881-0, rcovtjvrtzgsbp-uhfffaoysa-n, 4-chloromethylbenzoyl chloride, 4-(Chloromethyl)benzoylchloride, p-chloromethylbenzoyl chloride, 4-chloromethyl benzoyl chloride, 4-chloromethylbenzoylchloride, 4-ChloroMethyl-Benzoyl Chloride, MFCD00053224, NSC508741, 4-chlormethylbenzoylchloride, UNII-944K6CA5WU, 4-(chlormethyl)benzoylchlorid, 4-chloromethyl-benzoylchloride, SCHEMBL186794, p-chloromethyl benzoyl chloride, 4-(chloromethyl) benzoyl chloride, 4-(chloromethyl)-benzoyl chloride, SBB067919, AKOS005255638, 4-(Chloromethyl)benzoyl chloride, 97%, AS-15671, 4-(chloromethyl)-1-benzenecarbonyl chloride, DB-031940, NS00039207, EN300-39451, D78183, p-Toluoyl Chloride, alpha-Chloro- (6CI,7CI,8CI); 4-(Chloromethyl)benzoyl Chloride; NSC 508741; p-(Chloromethyl)benzoyl Chloride; alpha-Chloro-p-toluoyl Chloride

Application

4-(Chloromethyl)benzoyl chloride serves as a key building block in organic synthesis, particularly for introducing benzoyl and chloromethyl functionalities. It is widely employed in pharmaceutical manufacturing for the preparation of active pharmaceutical ingredients (APIs) and prodrugs. The compound also finds use in polymer chemistry as a crosslinking agent or monomer for specialty resins. Additionally, it acts as an intermediate in the synthesis of dyes, photoinitiators, and agrochemicals.

Safety and Hazards

GHS Hazard Statements

• H290 (19.2%): May be corrosive to metals [Warning Corrosive to Metals]
• H302 (17.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H314 (82.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
• H335 (78.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P234, P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P390, P403+P233, P405, P406, and P501

Hazard Classes and Categories

• Met. Corr. 1 (19.2%)
• Acute Tox. 4 (17.3%)
• Skin Corr. 1B (82.7%)
• STOT SE 3 (78.8%)

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