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Substance Name: Pentanoic acid, 2-bromo-
RN: 584-93-0
InChIKey: WMFATTFQNRPXBQ-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Br-O2

Molecular Weight

  • 181.028
 
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Names and Synonyms

Synonyms

  • 2-Bromopentanoic acid
  • 2-Bromovaleric acid
  • AI3-52317
  • alpha-Bromopentanoic acid
  • alpha-Bromovaleric acid
  • EINECS 209-546-6
  • NSC 184
  • Valeric acid, alpha-bromo-

Systematic Names

  • 2-Bromovaleric acid
  • Pentanoic acid, 2-bromo-
  • Valeric acid, 2-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 584-93-0

Other Registry Number

  • 2681-92-7

System Generated Number

  • 0000584930

Structure Descriptors

InChI

1S/C5H9BrO2/c1-2-3-4(6)5(7)8/h4H,2-3H2,1H3,(H,7,8)

InChIKey

WMFATTFQNRPXBQ-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 1.830 (none)   EST
Water Solubility 3700 mg/L 25 EST
Vapor Pressure 0.033 mm Hg 25 EST
Henry's Law Constant 1.48E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.87E-12 cm3/molecule-sec 25 EST

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