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Substance Name: Crotonic acid, 3-(p-chloroanilino)-, ethyl ester
RN: 41014-75-9
InChIKey: XZLWEBJIBFUTCP-HJWRWDBZSA-N

Molecular Formula

  • C12-H14-Cl-N-O2

Molecular Weight

  • 239.701
 
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Names and Synonyms

Synonyms

  • 3-(p-Chloroanilino)crotonic acid ethyl ester
  • 3-12-00-01380 (Beilstein Handbook Reference)
  • BRN 3293913
  • Crotonic acid, 3-(p-chloroanilino)-, ethyl ester
  • Ethyl 3-(p-chloroanilino)-crotonate
  • NSC 96990

Systematic Names

  • 2-Butenoic acid, 3-((4-chlorophenyl)amino)-, ethyl ester (9CI)
  • Crotonic acid, 3-(p-chloroanilino)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 41014-75-9

System Generated Number

  • 0041014759

Structure Descriptors

InChI

1S/C12H14ClNO2/c1-3-16-12(15)8-9(2)14-11-6-4-10(13)5-7-11/h4-8,14H,3H2,1-2H3/b9-8-

InChIKey

XZLWEBJIBFUTCP-HJWRWDBZSA-N

Smiles

c1(N\C(=C/C(OCC)=O)C)ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03780,