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Substance Name: Acetic acid, 2-bromo-2-cyano-, ethyl ester
RN: 1187-46-8
InChIKey: QFGBTDLJOFKSQL-UHFFFAOYSA-N

Molecular Formula

  • C5-H6-Br-N-O2

Molecular Weight

  • 192.011
 
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Names and Synonyms

Synonyms

  • 4-02-00-01905 (Beilstein Handbook Reference)
  • Acetic acid, 2-bromo-2-cyano-, ethyl ester
  • BRN 1761604
  • Ethyl alpha-bromo-alpha-cyanoacetate
  • NSC 77072

Systematic Names

  • Acetic acid, 2-bromo-2-cyano-, ethyl ester
  • Acetic acid, bromocyano-, ethyl ester
  • Acetic acid, bromocyano-, ethyl ester (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 1187-46-8

System Generated Number

  • 0001187468

Structure Descriptors

InChI

1S/C5H6BrNO2/c1-2-9-5(8)4(6)3-7/h4H,2H2,1H3

InChIKey

QFGBTDLJOFKSQL-UHFFFAOYSA-N

Smiles

C([C@@H](C#N)Br)(OCC)=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#00605,
rabbit LDLo skin 316mg/kg (316mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0570610,
rat LD50 oral 420mg/kg (420mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

GASTROINTESTINAL: OTHER CHANGES

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0570610,