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Substance Name: alpha-Bromoisovaleric acid
RN: 565-74-2
UNII: M69LGV465C
InChIKey: UEBARDWJXBGYEJ-UHFFFAOYSA-N

Molecular Formula

  • C5-H9-Br-O2

Molecular Weight

  • 181.028
 
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Names and Synonyms

Name of Substance

  • 2-Bromoisovaleric acid
  • alpha-Bromoisovaleric acid

Synonyms

  • 2-Bromo-3-methylbutanoic acid
  • 2-Bromo-3-methylbutyric acid
  • 2-Bromoisovaleric acid
  • AI3-21065
  • alpha-Bromoisovaleric acid
  • BRN 1721146
  • EINECS 209-291-0
  • NSC 167
  • UNII-M69LGV465C

Systematic Names

  • 2-Bromo-3-methylbutyric acid
  • Butanoic acid, 2-bromo-3-methyl-
  • Butyric acid, 2-bromo-3-methyl-

Registry Numbers

CAS Registry Number

  • 565-74-2

FDA UNII

  • M69LGV465C

Other Registry Number

  • 10323-40-7

System Generated Number

  • 0000565742

Structure Descriptors

InChI

1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)

InChIKey

UEBARDWJXBGYEJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 769mg/kg (769mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0188-0714,
rat LD50 skin 1410mg/kg (1410mg/kg)   United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0188-0714,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 44 deg C   EXP
Boiling Point 230 deg C   EXP
log P (octanol-water) 1.760 (none)   EST
Water Solubility 1.43E+04 mg/L 25 EXP
Vapor Pressure 0.070 mm Hg 25 EST
Henry's Law Constant 1.48E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.25E-12 cm3/molecule-sec 25 EST

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