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Substance Name: Ethyl 2-bromoacetate
RN: 105-36-2
UNII: D20KFB313W
InChIKey: PQJJJMRNHATNKG-UHFFFAOYSA-N

Classification Code

  • Tumor Data

Molecular Formula

  • C4-H7-Br-O2

Molecular Weight

  • 167.0013
 
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Names and Synonyms

Name of Substance

  • Ethyl 2-bromoacetate
  • Ethyl bromoacetate

Synonyms

  • 4-02-00-00527 (Beilstein Handbook Reference)
  • Acetic acid, bromo-, ethyl ester
  • AI3-28575
  • Antol
  • BRN 0506456
  • Bromoacetic acid, ethyl ester
  • CCRIS 6802
  • EINECS 203-290-9
  • Ethoxycarbonylmethyl bromide
  • Ethyl alpha-bromoacetate
  • Ethyl bromacetate
  • Ethyl monobromoacetate
  • HSDB 5069
  • NSC 8832
  • UNII-D20KFB313W

Systematic Names

  • Acetic acid, 2-bromo-, ethyl ester
  • Acetic acid, bromo-, ethyl ester
  • Ethyl bromoacetate

Superlist Names

  • Ethyl bromoacetate
  • Ethyl bromoacetate [UN1603] [Poison]
  • UN1603

Registry Numbers

CAS Registry Number

  • 105-36-2

FDA UNII

  • D20KFB313W

Other Registry Number

  • 679806-14-5

System Generated Number

  • 0000105362

Structure Descriptors

InChI

1S/C4H7BrO2/c1-2-7-4(6)3-5/h2-3H2,1H3

InChIKey

PQJJJMRNHATNKG-UHFFFAOYSA-N

Smiles

C(=O)(OCC)CBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 168.5 deg C   EXP
log P (octanol-water) 1.12 (none)   EXP
Water Solubility 7020 mg/L 25 EST
Vapor Pressure 3.370 mm Hg 25 EST
Henry's Law Constant 2.68E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.18E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.