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Substance Name: alpha-Bromobutyric acid
RN: 80-58-0
UNII: MCO6PW23BT
InChIKey: YAQLSKVCTLCIIE-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-Br-O2

Molecular Weight

  • 167.001
 
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Names and Synonyms

Name of Substance

  • alpha-Bromobutyric acid

Synonyms

  • 2-Bromobutanoic acid
  • 2-Bromobutyric acid
  • AI3-52295
  • alpha-Bromobutyric acid
  • Butyric acid, alpha-bromo-
  • EINECS 201-294-5
  • NSC 8024
  • UNII-MCO6PW23BT

Systematic Names

  • 2-Bromobutyric acid
  • Butanoic acid, 2-bromo-
  • Butyric acid, 2-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 80-58-0

FDA UNII

  • MCO6PW23BT

Other Registry Number

  • 2385-70-8

System Generated Number

  • 0000080580

Structure Descriptors

InChI

1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)

InChIKey

YAQLSKVCTLCIIE-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.00E+00 deg C   EXP
log P (octanol-water) 1.42 (none)   EXP
Water Solubility 7.00E+04 mg/L   EXP
Vapor Pressure 0.105 mm Hg 25 EST
Henry's Law Constant 1.11E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.62E-12 cm3/molecule-sec 25 EST

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