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Substance Name: 2-Butenoic acid, 4-bromo-, methyl ester
RN: 1117-71-1
InChIKey: RWIKCBHOVNDESJ-NSCUHMNNSA-N

Molecular Formula

  • C5-H7-Br-O2

Molecular Weight

  • 179.012
 
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Names and Synonyms

Synonyms

  • BRN 1745755
  • Crotonic acid, 4-bromo-, methyl ester
  • EINECS 214-251-0
  • Methyl 4-bromo-2-butenoate
  • Methyl 4-bromocrotonate
  • Methyl gamma-bromocrotonate
  • NSC 77073

Systematic Names

  • 2-Butenoic acid, 4-bromo-, methyl ester
  • Crotonic acid, 4-bromo-, methyl ester
  • Methyl 4-bromocrotonate

Registry Numbers

CAS Registry Number

  • 1117-71-1

System Generated Number

  • 0001117711

Structure Descriptors

InChI

1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+

InChIKey

RWIKCBHOVNDESJ-NSCUHMNNSA-N

Smiles

C(\C=C\CBr)(OC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00811,