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Substance Name: 4-Nitrobenzyl alcohol
RN: 619-73-8
UNII: 86BTJ68Y9M
InChIKey: JKTYGPATCNUWKN-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H7-N-O3

Molecular Weight

  • 153.136
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobenzyl alcohol

Synonyms

  • (4-Nitrophenyl)methanol
  • 4-06-00-02611 (Beilstein Handbook Reference)
  • 4-Nitrobenzenemethanol
  • 4-Nitrobenzyl alcohol
  • BRN 1424026
  • CCRIS 5118
  • EINECS 210-611-6
  • NSC 5389
  • p-(Hydroxymethyl)nitrobenzene
  • p-Nitrobenzyl alcohol
  • UNII-86BTJ68Y9M

Systematic Names

  • 4-Nitrobenzenemethanol
  • 4-Nitrobenzyl alcohol
  • Benzenemethanol, 4-nitro-
  • Benzyl alcohol, p-nitro-

Registry Numbers

CAS Registry Number

  • 619-73-8

FDA UNII

  • 86BTJ68Y9M

Other Registry Number

  • 185532-82-5

System Generated Number

  • 0000619738

Structure Descriptors

InChI

1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2

InChIKey

JKTYGPATCNUWKN-UHFFFAOYSA-N

Smiles

[O-][N+](=O)c1ccc(cc1)CO

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 96.5 deg C   EXP
log P (octanol-water) 1.26 (none)   EXP
Water Solubility 2000 mg/L 20 EXP
Vapor Pressure 8.58E-05 mm Hg 25 EST
Henry's Law Constant 8.58E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.01E-12 cm3/molecule-sec 25 EST

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