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Substance Name: 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-
RN: 100450-29-1
InChIKey: PDNBKHWZNVPEDF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H9-Br-O

Molecular Weight

  • 189.0511
 
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Names and Synonyms

Synonyms

  • 4-06-00-00342 (Beilstein Handbook Reference)
  • 4-Bromo-2-cyclopropyl-3-butyn-2-ol
  • BRN 3234363
  • Cyclopropanemethanol, alpha-(2-bromoethynyl)-alpha-methyl-

Systematic Name

  • 3-Butyn-2-ol, 4-bromo-2-cyclopropyl-

Registry Numbers

CAS Registry Number

  • 100450-29-1

System Generated Number

  • 0100450291

Structure Descriptors

InChI

1S/C7H9BrO/c1-7(9,4-5-8)6-2-3-6/h6,9H,2-3H2,1H3

InChIKey

PDNBKHWZNVPEDF-UHFFFAOYSA-N

Smiles

CC(C#CBr)(C1CC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 700mg/kg (700mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.
mouse LD50 subcutaneous 740mg/kg (740mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 109, Pg. 268, 1953.