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Substance Name: 1-Acetoxy-2-bromoethane
RN: 927-68-4
UNII: NRZ256O7QB
InChIKey: RGHQKFQZGLKBCF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C4-H7-Br-O2

Molecular Weight

  • 167.001
 
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Names and Synonyms

Name of Substance

  • 1-Acetoxy-2-bromoethane

Synonyms

  • 1-Acetoxy-2-bromoethane
  • 1-Bromo-2-acetoxyethane
  • 2-Bromoethyl acetate
  • 2-Bromoethylacetate
  • 4-02-00-00136 (Beilstein Handbook Reference)
  • BRN 1743110
  • Bromoethyl acetate
  • EINECS 213-159-8
  • NSC 7079
  • UNII-NRZ256O7QB

Systematic Names

  • 2-Bromoethyl acetate
  • Ethanol, 2-bromo-, 1-acetate
  • Ethanol, 2-bromo-, acetate

Registry Numbers

CAS Registry Number

  • 927-68-4

FDA UNII

  • NRZ256O7QB

System Generated Number

  • 0000927684

Structure Descriptors

InChI

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

InChIKey

RGHQKFQZGLKBCF-UHFFFAOYSA-N

Smiles

O(C(C)=O)CCBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.38E+01 deg C   EXP
Boiling Point 162.5 deg C   EXP
log P (octanol-water) 1.11 (none)   EXP
Water Solubility 3.54E+04 mg/L 25 EXP
Vapor Pressure 3.370 mm Hg 25 EST
Henry's Law Constant 2.68E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.05E-12 cm3/molecule-sec 25 EST

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