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Substance Name: Benzoic acid, chloroacetylmethyl ester
RN: 27933-26-2
InChIKey: LRCCOISSUIDSEU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H9-Cl-O3

Molecular Weight

  • 212.631
 
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Names and Synonyms

Synonyms

  • 1-Benzoyloxy-3-chloropropan-2-one
  • BRN 2265038
  • Chlorohydroxyacetone benzoate

Systematic Names

  • 2-Propanone, 1-chloro-3-hydroxy-, benzoate
  • Benzoic acid, chloroacetylmethyl ester

Registry Numbers

CAS Registry Number

  • 27933-26-2

System Generated Number

  • 0027933262

Structure Descriptors

InChI

1S/C10H9ClO3/c11-6-9(12)7-14-10(13)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

LRCCOISSUIDSEU-UHFFFAOYSA-N

Smiles

c1(C(OCC(CCl)=O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 70mg/kg (70mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 644, 1977.