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Substance Name: 2-Propanone, 1-(acetyloxy)-3-chloro-
RN: 40235-68-5
InChIKey: LCMPIWIWBGHBOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C5-H7-Cl-O3

Molecular Weight

  • 150.56
 
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Names and Synonyms

Synonyms

  • 1-02-00-00072 (Beilstein Handbook Reference)
  • 1-Acetoxy-3-chloropropan-2-one
  • 1-Acetyloxy-3-chloroacetone
  • BRN 1759066
  • Chlorohydroxyacetone acetate

Systematic Names

  • 2-Propanone, 1-(acetyloxy)-3-chloro-
  • Acetic acid, chloroacetylmethyl ester

Registry Numbers

CAS Registry Number

  • 40235-68-5

System Generated Number

  • 0040235685

Structure Descriptors

InChI

1S/C5H7ClO3/c1-4(7)9-3-5(8)2-6/h2-3H2,1H3

InChIKey

LCMPIWIWBGHBOY-UHFFFAOYSA-N

Smiles

C(COC(C)=O)(CCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 71mg/kg (71mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.