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Substance Name: m-Xylyl bromide
RN: 620-13-3
UNII: U49150ER3L
InChIKey: FWLWTILKTABGKQ-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-Br

Molecular Weight

  • 185.063
 
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Names and Synonyms

Name of Substance

  • m-Xylyl bromide

Synonyms

  • 1-(Bromomethyl)-3-methylbenzene
  • 3-(Bromomethyl)toluene
  • 3-Methylbenzyl bromide
  • AI3-20884
  • alpha-Bromo-m-xylene
  • Benzene, 1-(bromomethyl)-3-methyl-
  • EINECS 210-625-2
  • HSDB 2191
  • m-Methylbenzyl bromide
  • m-Xylene, alpha-bromo-
  • m-Xylyl bromide
  • NSC 60146
  • UNII-U49150ER3L

Systematic Names

  • alpha-Bromo-m-xylene
  • Benzene, 1-(bromomethyl)-3-methyl-
  • m-Xylene, alpha-bromo- (8CI)

Registry Numbers

CAS Registry Number

  • 620-13-3

FDA UNII

  • U49150ER3L

System Generated Number

  • 0000620133

Structure Descriptors

InChI

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

InChIKey

FWLWTILKTABGKQ-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C)CBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 212.5 deg C   EXP
log P (octanol-water) 3.430 (none)   EST
Water Solubility 61.1 mg/L 25 EST
Vapor Pressure 0.192 mm Hg 25 EST
Henry's Law Constant 7.56E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.65E-12 cm3/molecule-sec 25 EST

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