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Substance Name: 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate
RN: 100709-97-5
InChIKey: UQDZDSAIFZLEKL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-Cl-O2

Molecular Weight

  • 250.7235
 
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Names and Synonyms

Synonyms

  • 3-Methyl-1-pentyn-3-yl 2-chloro-2-phenylacetate
  • 4-09-00-01677 (Beilstein Handbook Reference)
  • Acetic acid, 2-chloro-2-phenyl-, 3-methyl-1-pentyn-3-yl ester
  • BRN 3300119

Systematic Name

  • 1-Pentyn-3-ol, 3-methyl-, chlorophenylacetate

Registry Numbers

CAS Registry Number

  • 100709-97-5

System Generated Number

  • 0100709975

Structure Descriptors

InChI

1S/C14H15ClO2/c1-4-14(3,5-2)17-13(16)12(15)11-9-7-6-8-10-11/h1,6-10,12H,5H2,2-3H3

InChIKey

UQDZDSAIFZLEKL-UHFFFAOYSA-N

Smiles

CCC(C)(C#C)OC(=O)C(c1ccccc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 7, Pg. 85, 1957.