Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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.