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Substance Name: 2,3-Hexanediol, 1,1,1-trichloro-
RN: 25448-89-9
InChIKey: WHZQHOWMESPCCL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C6-H11-Cl3-O2

Molecular Weight

  • 221.51
 
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Names and Synonyms

Synonyms

  • 1,1,1-Trichlorohexane-2,3-diol
  • BRN 1850684

Systematic Name

  • 2,3-Hexanediol, 1,1,1-trichloro-

Registry Numbers

CAS Registry Number

  • 25448-89-9

System Generated Number

  • 0025448899

Structure Descriptors

InChI

1S/C6H11Cl3O2/c1-2-3-4(10)5(11)6(7,8)9/h4-5,10-11H,2-3H2,1H3

InChIKey

WHZQHOWMESPCCL-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 640mg/kg (640mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 527, 1971.