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Substance Name: 2-Nitro-4-cresol
RN: 119-33-5
UNII: P92KPK2NL3
InChIKey: SYDNSSSQVSOXTN-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O3

Molecular Weight

  • 153.136
 
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Names and Synonyms

Name of Substance

  • 2-Nitro-4-cresol

Synonyms

  • 2-Nitro-4-cresol
  • 2-Nitro-4-methylphenol
  • 2-Nitro-p-cresol
  • 4-06-00-02149 (Beilstein Handbook Reference)
  • 4-Hydroxy-3-nitrotoluene
  • AI3-15389
  • BRN 1868022
  • EINECS 204-315-6
  • NSC 5387
  • o-Nitro-p-cresol
  • UNII-P92KPK2NL3

Systematic Names

  • 2-Nitro-p-cresol
  • p-Cresol, 2-nitro-
  • Phenol, 4-methyl-2-nitro-

Superlist Name

  • p-Cresol, 2-nitro-

Registry Numbers

CAS Registry Number

  • 119-33-5

FDA UNII

  • P92KPK2NL3

System Generated Number

  • 0000119335

Structure Descriptors

InChI

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

InChIKey

SYDNSSSQVSOXTN-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 3360mg/kg (3360mg/kg)   Huntingdon Research Center Reports. Vol. -, Pg. -, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 36.5 deg C   EXP
pKa Dissociation Constant 7.597 (none) 25 EXP
log P (octanol-water) 2.37 (none)   EXP
Water Solubility 633 mg/L 25 EXP
Vapor Pressure 6.32E-04 mm Hg 25 EST
Henry's Law Constant 1.48E-05 atm-m3/mole 20 EXP
Atmospheric OH Rate Constant 5.38E-12 cm3/molecule-sec 25 EST

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