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Substance Name: 4-Amino-2-nitrotoluene
RN: 119-32-4
UNII: SM8UZ1Q81F
InChIKey: GDIIPKWHAQGCJF-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H8-N2-O2

Molecular Weight

  • 152.152
 
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Names and Synonyms

Name of Substance

  • 4-Amino-2-nitrotoluene

Synonyms

  • 2-Nitro-4-aminotoluene
  • 3-Nitro-4-methylaniline
  • 3-Nitro-4-toluidin
  • 3-Nitro-4-toluidin [Czech]
  • 3-Nitro-p-toluidine
  • 4-12-00-01997 (Beilstein Handbook Reference)
  • 4-Amino-2-nitrotoluene
  • 4-Methyl-3-nitroaniline
  • 5-Nitro-4-toluidine
  • Benzenamine, 4-methyl-3-nitro-
  • BRN 0638984
  • CCRIS 3003
  • EINECS 204-314-0
  • GL-Amin
  • GL-Amin [Czech]
  • m-Nitro-p-toluidine
  • NSC 7731
  • UNII-SM8UZ1Q81F

Systematic Names

  • 3-Nitro-p-toluidine
  • Benzenamine, 4-methyl-3-nitro-
  • p-Toluidine, 3-nitro-

Registry Numbers

CAS Registry Number

  • 119-32-4

FDA UNII

  • SM8UZ1Q81F

System Generated Number

  • 0000119324

Structure Descriptors

InChI

1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3

InChIKey

GDIIPKWHAQGCJF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 3200ug/kg (3.2mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04522,
rat LD50 oral 6860mg/kg (6860mg/kg)   "Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku," Marhold, J.V., Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha, Czechoslovakia, 1972Vol. -, Pg. 133, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45.5 deg C   EXP
pKa Dissociation Constant 3.03 (none) 17 EXP
log P (octanol-water) 2.020 (none)   EST
Water Solubility 1400 mg/L 25 EST
Vapor Pressure 9.72E-04 mm Hg 25 EST
Henry's Law Constant 8.29E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.17E-11 cm3/molecule-sec 25 EST

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