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Substance Name: (3-Chloropropyl)benzene
RN: 104-52-9
InChIKey: XZBXAYCCBFTQHH-UHFFFAOYSA-N

Molecular Formula

  • C9-H11-Cl

Molecular Weight

  • 154.639
 
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Names and Synonyms

Synonyms

  • AI3-23863
  • EINECS 203-210-2

Systematic Names

  • (3-Chloropropyl)benzene
  • Benzene, (3-chloropropyl)-

Registry Numbers

CAS Registry Number

  • 104-52-9

System Generated Number

  • 0000104529

Structure Descriptors

InChI

1S/C9H11Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2

InChIKey

XZBXAYCCBFTQHH-UHFFFAOYSA-N

Smiles

c1(ccccc1)CCCCl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 219.5 deg C   EXP
log P (octanol-water) 3.55 (none)   EXP
Water Solubility 67.3 mg/L 25 EST
Vapor Pressure 0.109 mm Hg 25 EST
Henry's Law Constant 3.69E-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.