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Substance Name: (3-Bromopropyl)benzene
RN: 637-59-2
UNII: 6VX623QN9V
InChIKey: XMZQWZJMTBCUFT-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-Br

Molecular Weight

  • 199.09
 
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Names and Synonyms

Name of Substance

  • (3-Bromopropyl)benzene

Synonyms

  • (3-Bromopropyl)benzene
  • (gamma-Bromopropyl)benzene
  • 1-Bromo-3-phenylpropane
  • 3-Bromo-1-phenylpropane
  • 3-Phenylpropyl bromide
  • EC 211-294-7
  • EINECS 211-294-7
  • NSC 133438
  • UNII-6VX623QN9V

Systematic Names

  • (3-Bromopropyl)benzene
  • Benzene, (3-bromopropyl)-

Registry Numbers

CAS Registry Number

  • 637-59-2

FDA UNII

  • 6VX623QN9V

System Generated Number

  • 0000637592

Structure Descriptors

InChI

1S/C9H11Br/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChIKey

XMZQWZJMTBCUFT-UHFFFAOYSA-N

Smiles

c1(ccccc1)CCCBr

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 219.5 deg C   EXP
log P (octanol-water) 3.72 (none)   EXP
Water Solubility 29.4 mg/L 25 EST
Vapor Pressure 0.063 mm Hg 25 EST
Henry's Law Constant 1.21E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.84E-12 cm3/molecule-sec 25 EST

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