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Substance Name: 2-Methyl-4-nitrophenol
RN: 99-53-6
UNII: 105DL35HIB
InChIKey: KDQPMQNHVQVVMR-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O3

Molecular Weight

  • 153.136
 
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Names and Synonyms

Name of Substance

  • 2-Methyl-4-nitrophenol

Synonyms

  • 2-Methyl-4-nitrophenol
  • 4-06-00-02011 (Beilstein Handbook Reference)
  • 4-Nitro-o-cresol
  • BRN 1365535
  • EINECS 202-763-7
  • NSC 1022
  • p-Nitro-o-cresol
  • Phenol, 2-methyl-4-nitro-
  • UNII-105DL35HIB

Systematic Names

  • 2-Methyl-4-nitrophenol
  • o-Cresol, 4-nitro-
  • Phenol, 2-methyl-4-nitro-
  • Phenol, 2-methyl-4-nitro- (9CI)

Registry Numbers

CAS Registry Number

  • 99-53-6

FDA UNII

  • 105DL35HIB

System Generated Number

  • 0000099536

Structure Descriptors

InChI

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

InChIKey

KDQPMQNHVQVVMR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 390mg/kg (390mg/kg)   Pharmazie. Vol. 32, Pg. 171, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 96 deg C   EXP
log P (octanol-water) 2.460 (none)   EST
Atmospheric OH Rate Constant 5.38E-12 cm3/molecule-sec 25 EST

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