3-chlorostyrene

Synonyms: "1-chloro-3-vinylbenzene", "m-chlorostyrene", "1-chloro-3-ethenylbenzene", "1-chloro-3-vinyl-benzene", "meta-chlorostyrene".

Source: 3-chlorostyrene is used in the production of styrene oxide derivatives, which are important building blocks for the synthesis of pharmaceutical compounds.

Identifiers:

IUPAC Name: 1-chloro-3-ethenylbenzene
CAS Number: 2039-85-2
PubChem ID: 14905
InChiKey: BOVQCIDBZXNFEJ-UHFFFAOYSA-N
Canonical SMILES: C=CC1=CC(=CC=C1)Cl

Structural Properties:

Molecular Formula: C₈H₇Cl
Molecular Weight: 138.594

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 9

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3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Oh SM, Kim HR, Chung KH. 2009 Oct. In vitro estrogenic and antiestrogenic potential of chlorostyrenes. Toxicol In Vitro 23(7):1242-1248. DOI: 10.1016/j.tiv.2009.07.032. URL: https://www.sciencedirect.com/science/article/pii/S088723330900215X?via%3Dihub.