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Substance Name: 3-Nitrobenzyl alcohol
RN: 619-25-0
UNII: F829X990IV
InChIKey: CWNPOQFCIIFQDM-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

  • 3-Nitrobenzyl alcohol

Synonyms

  • 3-Nitrobenzenemethanol
  • 3-Nitrobenzyl alcohol
  • 4-06-00-02609 (Beilstein Handbook Reference)
  • AI3-04242
  • BRN 2044769
  • CCRIS 7971
  • EINECS 210-588-2
  • m-Nitrobenzyl alcohol
  • NSC 5388
  • UNII-F829X990IV

Systematic Names

  • 3-Nitrobenzenemethanol
  • 3-Nitrobenzyl alcohol
  • Benzenemethanol, 3-nitro-
  • Benzyl alcohol, m-nitro-

Registry Numbers

CAS Registry Number

  • 619-25-0

FDA UNII

  • F829X990IV

Other Registry Number

  • 185532-94-9

System Generated Number

  • 0000619250

Structure Descriptors

InChI

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

InChIKey

CWNPOQFCIIFQDM-UHFFFAOYSA-N

Smiles

[O-][N+](=O)c1cccc(CO)c1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 30.5 deg C   EXP
log P (octanol-water) 1.21 (none)   EXP
Water Solubility 590 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 3.83E-12 cm3/molecule-sec 25 EST

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