Synonyms: "3-chloro-1,2-propanediol", "3-chloropropane-1,2-diol", "chlorodeoxyglycerol", "epibloc", "monochlorohydrin"

Source: alpha-chlorohydrin is a lethal rodenticide at high doses.


IUPAC Name: 3-chloropropane-1,2-diol
CAS Number: 96-24-2
PubChem ID: 7290
Canonical SMILES: C(C(CCl)O)O

Structural Properties:

Molecular Formula: C3H7ClO2
Molecular Weight: 110,539

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 2
Number of atoms different from hydrogen: 6


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

Search Similar molecules

Similarity from: % to %

Toxicological Information

ACToR (Aggregated Computational Toxicology Resource)

HSDB (Hazardous Substances Data Bank)

CCRIS (Chemical Carcinogenesis Research Information System)


CTD (Comparative Toxicogenomics Database)

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

Kluwe WM, Gupta BN, Lamb JC 4th. 1983. The comparative effects of 1,2-dibromo-3-chloropropane (DBCP) and its metabolites, 3-chloro-1,2-propaneoxide (epichlorohydrin), 3-chloro-1,2- propanediol (alphachlorohydrin), and oxalic acid, on the urogenital system of male rats. Toxicol Appl Pharmacol 70(1):67-86.
Omura M, Hirata M, Zhao M, Tanaka A, Inoue N. 1995. Comparative testicular toxicities of two isomers of dichloropropanol, 2,3-dichloro-1-propanol, and 1,3-dichloro-2-propanol, and their metabolites alpha-chlorohydrin and epichlorohydrin, and the potent testicular toxicant 1,2-dibromo-3-chloropropane. Bull Environ Contam Toxicol 55(1):1-7.

External Links




Jmol viewer