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Substance Name: 3-Nitro-p-cresol
RN: 2042-14-0
UNII: 4B422HUD6H
InChIKey: BQEXDUKMTVYBRK-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O3

Molecular Weight

  • 153.136
 
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Names and Synonyms

Name of Substance

  • 3-Nitro-p-cresol

Synonyms

  • EINECS 218-044-6
  • UNII-4B422HUD6H

Systematic Name

  • 3-Nitro-p-cresol

Registry Numbers

CAS Registry Number

  • 2042-14-0

FDA UNII

  • 4B422HUD6H

System Generated Number

  • 0002042140

Structure Descriptors

InChI

1S/C7H7NO3/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,9H,1H3

InChIKey

BQEXDUKMTVYBRK-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)O)C)[N+](=O)[O-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 8.62 (none) 25 EXP
log P (octanol-water) 2.18 (none)   EXP
Water Solubility 3840 mg/L 25 EST
Vapor Pressure 6.32E-04 mm Hg 25 EST
Henry's Law Constant 2.44E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.85E-12 cm3/molecule-sec 25 EST

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