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Substance Name: alpha-Bromoisobutyric acid
RN: 2052-01-9
UNII: 821P2R6B0A
InChIKey: XXSPGBOGLXKMDU-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-Br-O2

Molecular Weight

  • 167.0013
 
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Names and Synonyms

Name of Substance

  • alpha-Bromoisobutyric acid

Synonyms

  • 2-Bromo-2-methylpropanoic acid
  • 2-Bromo-2-methylpropionic acid
  • 2-Bromoisobutyric acid
  • alpha-Bromo-alpha-methylpropionic acid
  • alpha-Bromoisobutyric acid
  • CCRIS 9046
  • EINECS 218-139-2
  • Isobromobutyric acid
  • NSC 41213
  • UNII-821P2R6B0A

Systematic Names

  • 2-Bromo-2-methylpropionic acid
  • Propanoic acid, 2-bromo-2-methyl-
  • Propionic acid, 2-bromo-2-methyl- (8CI)

Registry Numbers

CAS Registry Number

  • 2052-01-9

FDA UNII

  • 821P2R6B0A

Other Registry Number

  • 280757-31-5

System Generated Number

  • 0002052019

Structure Descriptors

InChI

InChI=1S/C4H7BrO2/c1-4(2,5)3(6)7/h1-2H3,(H,6,7)

InChIKey

XXSPGBOGLXKMDU-UHFFFAOYSA-N

Smiles

CC(C)(Br)C(=O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 48.5 deg C   EXP
Boiling Point 199 deg C   EXP
log P (octanol-water) 1.300 (none)   EST
Atmospheric OH Rate Constant 7.92E-13 cm3/molecule-sec 25 EST

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