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Substance Name: o-Xylyl bromide
RN: 89-92-9
UNII: 3NDQ4L309U
InChIKey: WGVYCXYGPNNUQA-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-Br

Molecular Weight

  • 185.063
 
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Names and Synonyms

Name of Substance

  • o-Xylyl bromide

Synonyms

  • 1-(Bromomethyl)-2-methylbenzene
  • 2-(Bromomethyl)toluene
  • 2-Methylbenzyl bromide
  • 2-Xylyl bromide
  • alpha-Bromo-o-xylene
  • alpha-Bromo-ortho-xylene
  • Benzene, 1-(bromomethyl)-2-methyl-
  • EINECS 201-951-6
  • HSDB 2192
  • NSC 60145
  • o-Methylbenzyl bromide
  • o-Xylene, alpha-bromo-
  • o-Xylyl bromide
  • UNII-3NDQ4L309U

Systematic Names

  • alpha-Bromo-o-xylene
  • Benzene, 1-(bromomethyl)-2-methyl- (9CI)
  • o-Xylene, alpha-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 89-92-9

FDA UNII

  • 3NDQ4L309U

System Generated Number

  • 0000089929

Structure Descriptors

InChI

1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3

InChIKey

WGVYCXYGPNNUQA-UHFFFAOYSA-N

Smiles

c1(c(cccc1)C)CBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 21 deg C   EXP
Boiling Point 217 deg C   EXP
pKa Dissociation Constant 6.64 (none) 25 EXP
log P (octanol-water) 3.430 (none)   EST
Water Solubility 122 mg/L 25 EST
Vapor Pressure 0.153 mm Hg 25 EST
Henry's Law Constant 7.56E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.70E-12 cm3/molecule-sec 25 EST

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