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Substance Name: 4-Nitrodiphenylamine
RN: 836-30-6
UNII: 5ZOC179N5D
InChIKey: XXYMSQQCBUKFHE-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H10-N2-O2

Molecular Weight

  • 214.223
 
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Names and Synonyms

Name of Substance

  • 4-Nitrodiphenylamine

Synonyms

  • 4-12-00-01619 (Beilstein Handbook Reference)
  • 4-Ndpa
  • 4-Nitrodifenylamin
  • 4-Nitrodifenylamin [Czech]
  • 4-Nitrodiphenylamine
  • AI3-02915
  • Amine, diphenyl, 4-nitro-
  • Benzenamine, 4-nitro-N-phenyl-
  • BRN 2051910
  • CCRIS 5174
  • Diphenylamine, 4-nitro-
  • EINECS 212-646-2
  • HSDB 5763
  • NSC 33836
  • p-Nitrodiphenylamine
  • p-Nitrophenylphenylamine
  • UNII-5ZOC179N5D

Systematic Names

  • 4-Nitro-N-phenylaniline
  • Benzenamine, 4-nitro-N-phenyl-
  • Diphenylamine, 4-nitro-
  • N-(4-Nitrophenyl)benzenamine

Superlist Names

  • Benzenamine, 4-nitro-N-phenyl-
  • Diphenylamine, 4-nitro-
  • p-Nitrodiphenylamine

Registry Numbers

CAS Registry Number

  • 836-30-6

FDA UNII

  • 5ZOC179N5D

System Generated Number

  • 0000836306

Structure Descriptors

InChI

1S/C12H10N2O2/c15-14(16)12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13H

InChIKey

XXYMSQQCBUKFHE-UHFFFAOYSA-N

Smiles

c1(Nc2ccccc2)ccc([N+](=O)[O-])cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 4gm/kg (4000mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BLOOD: HEMORRHAGE

BEHAVIORAL: EXCITEMENT
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. Vol. 8, Pg. 126, 1966.
rabbit LD50 skin > 7940mg/kg (7940mg/kg) BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 66, 1990.
rat LD50 oral > 7940mg/kg (7940mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 66, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 135.3 deg C   EXP
pKa Dissociation Constant -2.50E+00 (none) 25 EXP
log P (octanol-water) 3.74 (none)   EXP
Water Solubility 23.6 mg/L 25 EST
Vapor Pressure 1.66E-05 mm Hg 25 EST
Henry's Law Constant 4.14E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.65E-10 cm3/molecule-sec 25 EST

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