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Substance Name: Ethyl 2-bromoisovalerate
RN: 609-12-1
UNII: 4J9877130M
InChIKey: WNFUWONOILPKNX-UHFFFAOYSA-N

Molecular Formula

  • C7-H13-Br-O2

Molecular Weight

  • 209.082
 
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Names and Synonyms

Name of Substance

  • Ethyl 2-bromoisovalerate

Synonyms

  • AI3-52374
  • alpha-Bromoisovaleric acid ethyl ester
  • Butyric acid, 2-bromo-3-methyl-, ethyl ester
  • EINECS 210-178-3
  • Ethyl 2-bromo-3-methylbutanoate
  • Ethyl 2-bromo-3-methylbutyrate
  • Ethyl 2-bromoisovalerate
  • Ethyl alpha-bromoisovalerate
  • NSC 8866
  • UNII-4J9877130M

Systematic Names

  • Butanoic acid, 2-bromo-3-methyl-, ethyl ester
  • Ethyl 2-bromo-3-methylbutyrate

Registry Numbers

CAS Registry Number

  • 609-12-1

FDA UNII

  • 4J9877130M

Other Registry Number

  • 84984-05-4

System Generated Number

  • 0000609121

Structure Descriptors

InChI

1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3

InChIKey

WNFUWONOILPKNX-UHFFFAOYSA-N

Smiles

C([C@@H](Br)C(C)C)(=O)OCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 186 deg C   EXP
log P (octanol-water) 2.530 (none)   EST
Atmospheric OH Rate Constant 2.54E-12 cm3/molecule-sec 25 EST

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