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Substance Name: 2-Butanone, 1-bromo-
RN: 816-40-0
InChIKey: CCXQVBSQUQCEEO-UHFFFAOYSA-N

Molecular Formula

  • C4-H7-Br-O

Molecular Weight

  • 151.002
 
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Names and Synonyms

Synonyms

  • 1-Bromo-2-butanone
  • 4-01-00-03258 (Beilstein Handbook Reference)
  • BRN 0741894
  • EINECS 212-431-3
  • TL 819

Systematic Names

  • 1-Bromobutanone
  • 2-Butanone, 1-bromo-

Registry Numbers

CAS Registry Number

  • 816-40-0

System Generated Number

  • 0000816400

Structure Descriptors

InChI

1S/C4H7BrO/c1-2-4(6)3-5/h2-3H2,1H3

InChIKey

CCXQVBSQUQCEEO-UHFFFAOYSA-N

Smiles

C(CC)(CBr)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LCLo inhalation 500mg/m3/10M (500mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. No.9-4-1-9, Pg. 1943,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.600 (none)   EST
Water Solubility 2.31E+04 mg/L 25 EST
Vapor Pressure 3.63 mm Hg 25 EXP
Henry's Law Constant 7.58E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.43E-12 cm3/molecule-sec 25 EST

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