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Substance Name: 4-Nitro-3-cresol
RN: 2581-34-2
UNII: 2CC94832EU
InChIKey: PIIZYNQECPTVEO-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-Nitro-3-cresol

Synonyms

  • 2-Nitro-5-hydroxytoluene
  • 3-Methyl-4-nitrophenol
  • 4-06-00-02075 (Beilstein Handbook Reference)
  • 4-Nitro-1-hydroxy-3-methylbenzene
  • 4-Nitro-3-cresol
  • 4-Nitro-3-methylphenol
  • 4-Nitro-5-methylphenol
  • 4-Nitro-m-cresol
  • 5-Hydroxy-2-nitrotoluene
  • AI3-19030
  • BRN 1868105
  • EINECS 219-952-5
  • NSC 69190
  • UNII-2CC94832EU

Systematic Names

  • 4-Nitro-m-cresol
  • m-Cresol, 4-nitro-
  • Phenol, 3-methyl-4-nitro-

Superlist Name

  • Phenol, 3-methyl-4-nitro-

Registry Numbers

CAS Registry Number

  • 2581-34-2

FDA UNII

  • 2CC94832EU

Related Registry Number

  • 2666-76-4 (hydrochloride salt)

System Generated Number

  • 0002581342

Structure Descriptors

InChI

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

InChIKey

PIIZYNQECPTVEO-UHFFFAOYSA-N

Smiles

c1(c(cc(O)cc1)C)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intracrebral 15mg/kg (15mg/kg)   Pesticide Biochemistry and Physiology. Vol. 8, Pg. 302, 1978.
mouse LD50 intraperitoneal 90mg/kg (90mg/kg)   Pesticide Biochemistry and Physiology. Vol. 8, Pg. 302, 1978.
rat LD50 oral 1200mg/kg (1200mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 27, Pg. 1054, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 127-129 deg C   EXP
log P (octanol-water) 2.48 (none)   EXP
Water Solubility 1190 mg/L 20 EXP
Vapor Pressure 6.32E-04 mm Hg 25 EST
Henry's Law Constant 1.61E-08 atm-m3/mole 20 EXP
Atmospheric OH Rate Constant 1.12E-11 cm3/molecule-sec 25 EST

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