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Substance Name: Benzene, 1-ethyl-4-nitro-
RN: 100-12-9
InChIKey: RESTWAHJFMZUIZ-UHFFFAOYSA-N

Molecular Formula

  • C8-H9-N-O2

Molecular Weight

  • 151.164
 
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Names and Synonyms

Synonyms

  • 1-Ethyl-4-nitrobenzene
  • 2-Ethylnitrobenzene
  • 4-Ethylnitrobenzene
  • CCRIS 3100
  • EINECS 202-821-1
  • NSC 858
  • p-Ethylnitrobenzene
  • p-Nitroethylbenzene
  • p-Nitrophenylethane

Systematic Names

  • 1-Ethyl-4-nitrobenzene
  • Benzene, 1-ethyl-4-nitro-
  • p-Ethylnitrobenzene

Registry Numbers

CAS Registry Number

  • 100-12-9

System Generated Number

  • 0000100129

Structure Descriptors

InChI

1S/C8H9NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3

InChIKey

RESTWAHJFMZUIZ-UHFFFAOYSA-N

Smiles

c1(ccc(CC)cc1)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -1.23E+01 deg C   EXP
Boiling Point 245.5 deg C   EXP
log P (octanol-water) 3.03 (none)   EXP
Water Solubility 79 mg/L 25 EST
Vapor Pressure 0.022 mm Hg 25 EST
Henry's Law Constant 3.11E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.71E-12 cm3/molecule-sec 25 EST

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