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Substance Name: 2,3-Butanediol, 1,1,1-trichloro-, threo-
RN: 32817-81-5
InChIKey: JUELTGCZCZPHPX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C4-H7-Cl3-O2

Molecular Weight

  • 193.456
 
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Names and Synonyms

Synonym

  • threo-1,1,1-Trichloro-2,3-butanediol

Systematic Name

  • 2,3-Butanediol, 1,1,1-trichloro-, threo-

Registry Numbers

CAS Registry Number

  • 32817-81-5

System Generated Number

  • 0032817815

Structure Descriptors

InChI

1S/C4H7Cl3O2/c1-2(8)3(9)4(5,6)7/h2-3,8-9H,1H3

InChIKey

JUELTGCZCZPHPX-UHFFFAOYSA-N

Smiles

C([C@@H]([C@@H](C)O)O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1180mg/kg (1180mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 527, 1971.
mouse LD50 oral > 1180mg/kg (1180mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 527, 1971.