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Substance Name: Bromoacetone
RN: 598-31-2
UNII: 3O8L0EWR5Q
InChIKey: VQFAIAKCILWQPZ-UHFFFAOYSA-N

Molecular Formula

  • C3-H5-Br-O

Molecular Weight

  • 136.975
 

Classification Codes

Classification Code

  • Human Data

Superlist Classification Code

  • Reportable Quantity (RQ) = 1000 lb
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Names and Synonyms

Name of Substance

  • Bromoacetone

Synonyms

  • 1-Bromo-2-propanone
  • 2-Propanone, 1-bromo-
  • 2-Propanone, bromo-
  • 4-01-00-03223 (Beilstein Handbook Reference)
  • Acetonyl bromide
  • Acetyl methyl bromide
  • Acetylmethyl bromide
  • B-Stoff
  • BA
  • BA (tear gas)
  • BRN 0741886
  • Bromo-2-propanone
  • Bromoacetone
  • Bromomethyl methyl ketone
  • EINECS 209-928-2
  • HSDB 315
  • Martonite
  • Monobromoacetone
  • RCRA waste number P017
  • UNII-3O8L0EWR5Q

Systematic Names

  • 2-Propanone, 1-bromo-
  • 2-Propanone, 1-bromo- (9CI)
  • 2-Propanone, bromo-
  • Bromoacetone

Superlist Names

  • 2-Propanone, 1-bromo-
  • Bromoacetone
  • Bromoacetone [UN1569] [Poison]
  • RCRA waste no. P017
  • UN1569

Registry Numbers

CAS Registry Number

  • 598-31-2

FDA UNII

  • 3O8L0EWR5Q

System Generated Number

  • 0000598312

Structure Descriptors

InChI

1S/C3H5BrO/c1-3(5)2-4/h2H2,1H3

InChIKey

VQFAIAKCILWQPZ-UHFFFAOYSA-N

Smiles

C(CBr)(C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human LCLo inhalation 572ppm/10M (572ppm)   National Technical Information Service. Vol. PB214-270,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.65E+01 deg C   EXP
Boiling Point 138 deg C   EXP
pKa Dissociation Constant 16.1 (none)   EXP
log P (octanol-water) 0.110 (none)   EST
Water Solubility 6.96E+04 mg/L 25 EST
Vapor Pressure 90 mm Hg 20 EXP
Henry's Law Constant 5.71E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.98E-13 cm3/molecule-sec 25 EST

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