benzyl chloride

Synonyms: "(chloromethyl)benzene","alpha-chlorotoluene", "benzylchloride", "chloromethylbenzene", "benzylchlorid", "chlorophenylmethane", "tolyl chloride", "a-chlorotoluene", "omega-chlorotoluene", "chloromethyl-benzene".

Source: Benzyl chloride is a widely used reagent made in large quantities for industrial use.

Identifiers:

IUPAC Name: chloromethylbenzene
CAS Number: 100-44-7
PubChem ID: 7503
InChiKey: KCXMKQUNVWSEMD-UHFFFAOYSA-N
Canonical SMILES: C1=CC=C(C=C1)CCl

Structural Properties:

Molecular Formula: C₇H₇Cl
Molecular Weight: 126.583

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 8

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Lijinsky W. 1986. Chronic bioassay of benzyl chloride in F344 rats and (C57BL/6J x BALB/c)F1 mice. J Natl Cancer Inst 76(6):1231-1236. DOI: 10.1093/jnci/76.6.1231. URL: https://academic.oup.com/jnci/article-abstract/76/6/1231/1047989?redirectedFrom=PDF.