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Substance Name: Benzeneethanol, 4-nitro-
RN: 100-27-6
InChIKey: IKMXRUOZUUKSON-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C8-H9-N-O3

Molecular Weight

  • 167.163
 
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Names and Synonyms

Synonyms

  • 2-(4-Nitrophenyl)ethanol
  • 2-(p-Nitrophenyl)ethanol
  • 4-06-00-03083 (Beilstein Handbook Reference)
  • 4-Nitrobenzeneethanol
  • 4-Nitrophenethyl alcohol
  • AI3-36320
  • Benzeneethanol, 4-nitro-
  • BRN 1866148
  • CCRIS 6079
  • EINECS 202-835-8
  • NSC 55519
  • p-Nitrophenethyl alcohol

Systematic Names

  • 4-Nitrobenzeneethanol
  • 4-Nitrophenethyl alcohol
  • Benzeneethanol, 4-nitro-
  • Phenethyl alcohol, p-nitro-

Registry Numbers

CAS Registry Number

  • 100-27-6

System Generated Number

  • 0000100276

Structure Descriptors

InChI

1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2

InChIKey

IKMXRUOZUUKSON-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 63 deg C   EXP
log P (octanol-water) 1.12 (none)   EXP
Water Solubility 2860 mg/L 25 EST
Vapor Pressure 2.67E-05 mm Hg 25 EST
Henry's Law Constant 1.14E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.92E-12 cm3/molecule-sec 25 EST

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