Skip Navigation
ChemIDplus A TOXNET DATABASE Lite•Browse•Advanced

Substance Name: Benzyl bromide
RN: 100-39-0
UNII: XR75BS721D
InChIKey: AGEZXYOZHKGVCM-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H7-Br

Molecular Weight

  • 171.0363
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Benzyl bromide

Synonyms

  • (Bromomethyl)benzene
  • 1-Bromotoluene
  • AI3-15300
  • alpha-Bromotoluene
  • Benzene, (bromomethyl)-
  • Benzyl bromide
  • Bromophenylmethane
  • CCRIS 5980
  • Cyclite
  • EC 202-847-3
  • EINECS 202-847-3
  • HSDB 369
  • NSC 8041
  • Phenylmethyl bromide
  • Toluene, alpha-bromo-
  • UNII-XR75BS721D

Systematic Names

  • alpha-Bromotoluene
  • Benzene, (bromomethyl)-
  • Toluene, alpha-bromo-

Superlist Names

  • Benzyl bromide
  • Benzyl bromide [UN1737] [Poison]
  • UN1737

Registry Numbers

CAS Registry Number

  • 100-39-0

FDA UNII

  • XR75BS721D

Other Registry Number

  • 1401918-81-7

System Generated Number

  • 0000100390

Structure Descriptors

InChI

1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

AGEZXYOZHKGVCM-UHFFFAOYSA-N

Smiles

c1(ccccc1)CBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.00E+00 deg C   EXP
Boiling Point 201 deg C   EXP
log P (octanol-water) 2.92 (none)   EXP
Water Solubility 385 mg/L 25 EST
Vapor Pressure 0.390 mm Hg 25 EST
Henry's Law Constant 6.90E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.27E-12 cm3/molecule-sec 25 EST

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