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Substance Name: (2-Nitroethyl)benzene
RN: 6125-24-2
InChIKey: XAWCLWKTUKMCMO-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.164
 
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Names and Synonyms

Synonyms

  • EINECS 228-094-0
  • NSC 23854

Systematic Names

  • (2-Nitroethyl)benzene
  • Benzene, (2-nitroethyl)- (8CI)(9CI)

Registry Numbers

CAS Registry Number

  • 6125-24-2

System Generated Number

  • 0006125242

Structure Descriptors

InChI

1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey

XAWCLWKTUKMCMO-UHFFFAOYSA-N

Smiles

c1ccccc1CC[N+]([O-])=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.30E+01 deg C   EXP
Boiling Point 250 deg C   EXP
log P (octanol-water) 2.08 (none)   EXP
Water Solubility 511 mg/L 25 EST
Vapor Pressure 0.024 mm Hg 25 EST
Henry's Law Constant 4.51E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.11E-12 cm3/molecule-sec 25 EST

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