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Substance Name: p-Xylyl bromide
RN: 104-81-4
UNII: V2DIK2AP5I
InChIKey: WZRKSPFYXUXINF-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-Br

Molecular Weight

  • 185.063
 
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Names and Synonyms

Name of Substance

  • p-Xylyl bromide

Synonyms

  • 1-(Bromomethyl)-4-methylbenzene
  • 4-(Bromomethyl)toluene
  • 4-Methylbenzyl bromide
  • alpha-Bromo-p-xylene
  • alpha-Bromo-p-xylol
  • Benzene, 1-(bromomethyl)-4-methyl-
  • EINECS 203-240-6
  • HSDB 2193
  • NSC 8050
  • p-(Bromomethyl)toluene
  • p-Methylbenzyl bromide
  • p-Xylene, alpha-bromo-
  • p-Xylyl alpha-bromide
  • p-Xylyl-alpha-bromide
  • UNII-V2DIK2AP5I

Systematic Names

  • alpha-Bromo-p-xylene
  • Benzene, 1-(bromomethyl)-4-methyl-
  • p-Xylene, alpha-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 104-81-4

FDA UNII

  • V2DIK2AP5I

System Generated Number

  • 0000104814

Structure Descriptors

InChI

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

InChIKey

WZRKSPFYXUXINF-UHFFFAOYSA-N

Smiles

c1(ccc(C)cc1)CBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 35 deg C   EXP
Boiling Point 220 deg C   EXP
log P (octanol-water) 3.430 (none)   EST
Water Solubility 92.4 mg/L 25 EST
Vapor Pressure 0.098 mm Hg 25 EST
Henry's Law Constant 7.60E-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.