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Substance Name: 3-Butyn-2-ol, 4-bromo-2-methyl-
RN: 2063-19-6
InChIKey: PCIPCEOKFBAUNM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H7-Br-O

Molecular Weight

  • 163.013
 
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Names and Synonyms

Synonyms

  • 4-01-00-02232 (Beilstein Handbook Reference)
  • 4-Bromo-2-methyl-3-butyn-2-ol
  • BRN 1523732
  • Dimethyl(beta-bromoethynyl)carbinol
  • Dimethyl-bromaethenyl-carbinol
  • Dimethyl-bromaethenyl-carbinol [German]

Systematic Name

  • 3-Butyn-2-ol, 4-bromo-2-methyl-

Registry Numbers

CAS Registry Number

  • 2063-19-6

System Generated Number

  • 0002063196

Structure Descriptors

InChI

1S/C5H7BrO/c1-5(2,7)3-4-6/h7H,1-2H3

InChIKey

PCIPCEOKFBAUNM-UHFFFAOYSA-N

Smiles

CC(C#CBr)(O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 900mg/kg (900mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.
rabbit LDLo oral 300mg/kg (300mg/kg)   "Zur Pharmakologie Ungesattigter Alkohole, Dissertation," Bock, H., Pharmakologischen Institu der Universitat Breslau, Poland, 1930Vol. -, Pg. -, 1930.