Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Allyl bromide
RN: 106-95-6
UNII: FXQ8X2F74Z
InChIKey: BHELZAPQIKSEDF-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C3-H5-Br

Molecular Weight

  • 120.9765
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Allyl bromide

Synonyms

  • 1-Bromo-2-propene
  • 1-Propene, 3-bromo-
  • 2-Propenyl bromide
  • 3-Bromo-1-propene
  • 3-Bromopropene
  • 3-Bromopropylene
  • 4-01-00-00754 (Beilstein Handbook Reference)
  • AI3-52208
  • Allyl bromide
  • BRN 0605308
  • Bromallylene
  • CCRIS 9049
  • EC 203-446-6
  • EINECS 203-446-6
  • HSDB 622
  • NSC 7596
  • Propene, 3-bromo-
  • UNII-FXQ8X2F74Z

Systematic Names

  • 1-Propene, 3-bromo-
  • 3-Bromopropene
  • Propene, 3-bromo-

Superlist Names

  • 1-Propene, 3-bromo-
  • 3-Bromopropene
  • Allyl bromide
  • Allyl bromide [UN1099] [Flammable liquid]
  • UN1099

Registry Numbers

CAS Registry Number

  • 106-95-6

FDA UNII

  • FXQ8X2F74Z

System Generated Number

  • 0000106956

Structure Descriptors

InChI

1S/C3H5Br/c1-2-3-4/h2H,1,3H2

InChIKey

BHELZAPQIKSEDF-UHFFFAOYSA-N

Smiles

C(=C)CBr

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LC50 inhalation 4110mg/m3 (4110mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 18(4), Pg. 55, 1974.
mouse LD50 intraperitoneal 48mg/kg (48mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 20(12), Pg. 52, 1976.
rat LC50 inhalation 10gm/m3/30M (10000mg/m3)   Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. Vol. 7, Pg. 35, 1975.
rat LD50 oral 120mg/kg (120mg/kg)   JAT, Journal of Applied Toxicology. Vol. 9, Pg. 235, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.19E+02 deg C   EXP
Boiling Point 70.1 deg C   EXP
log P (octanol-water) 1.79 (none)   EXP
Water Solubility 3830 mg/L 25 EXP
Vapor Pressure 136 mm Hg 25 EST
Henry's Law Constant 0.011 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.03E-11 cm3/molecule-sec 25 EST

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