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Substance Name: 2-Butyn-1-one, 4-chloro-1-phenyl-
RN: 41658-10-0
InChIKey: QQEVUVHYGUKSPA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-Cl-O

Molecular Weight

  • 178.6173
 
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Names and Synonyms

Synonyms

  • 4-Chloro-1-phenyl-2-butyn-1-one
  • BRN 2248032

Systematic Name

  • 2-Butyn-1-one, 4-chloro-1-phenyl-

Registry Numbers

CAS Registry Number

  • 41658-10-0

System Generated Number

  • 0041658100

Structure Descriptors

InChI

1S/C10H7ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,8H2

InChIKey

QQEVUVHYGUKSPA-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(=O)C#CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 15, Pg. 103, 1981.