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Substance Name: N,N-Diphenylamine
RN: 122-39-4
UNII: 9N3CBB0BIQ
InChIKey: DMBHHRLKUKUOEG-UHFFFAOYSA-N

Note

  • In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.

Molecular Formula

  • C12-H11-N

Molecular Weight

  • 169.226
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Growth Regulator / Fertilizer
  • Insecticide
  • Mutation Data
  • Reproductive Effect

Superlist Classification Code

  • TWA 10 mg/m3; Not classifiable as a human carcinogen
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Names and Synonyms

Name of Substance

  • Diphenylamine
  • N,N-Diphenylamine

MeSH Heading

  • Diphenylamine

Synonyms

  • AI3-00781
  • Aniline, N-phenyl-
  • Anilinobenzene
  • Benzenamine, N-phenyl-
  • Benzene, (phenylamino)-
  • Benzene, anilino-
  • Big Dipper
  • C.I. 10355
  • Caswell No. 398
  • CCRIS 4699
  • CI 10355
  • Deccoscald 282
  • DFA
  • Difenylamin
  • Difenylamin [Czech]
  • Diphenylamine
  • DPA (VAN)
  • EC 204-539-4
  • EINECS 204-539-4
  • EPA Pesticide Chemical Code 038501
  • HSDB 1108
  • N,N-Diphenylamine
  • N-Fenylanilin
  • N-Fenylanilin [Czech]
  • N-Phenylaniline
  • N-Phenylbenzenamine
  • Naugalube 428L
  • No-Scald
  • No-Scald DPA 283
  • NSC 215210
  • Phenylaniline
  • Scaldip
  • Shield DPA
  • UNII-9N3CBB0BIQ

Systematic Names

  • Benzenamine, N-phenyl-
  • Diphenylamine
  • N-Phenylbenzenamine

Superlist Names

  • Benzenamine, N-phenyl-
  • Diphenylamine
  • Diphenylamine, reaction product with 2,2,4-trimethylpentene
  • N,N-Diphenylamine

Registry Numbers

CAS Registry Number

  • 122-39-4

FDA UNII

  • 9N3CBB0BIQ

Other Registry Number

  • 1135443-74-1

System Generated Number

  • 0000122394

Structure Descriptors

InChI

InChI=1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H

InChIKey

DMBHHRLKUKUOEG-UHFFFAOYSA-N

Smiles

N(c1ccccc1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 300mg/kg (300mg/kg)   Farm Chemicals Handbook. Vol. -, Pg. C112, 1991.
mammal (species unspecified) LD50 oral 3200mg/kg (3200mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 40(10), Pg. 114, 1975.
mouse LD50 oral 1230mg/kg (1230mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION		 "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 104, 1999.
rat LD50 oral 1120mg/kg (1120mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN		 "Spravochnik po Toksikologii i Gigienicheskim Normativam Vol. -, Pg. 104, 1999.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 52.9 deg C   EXP
Boiling Point 302 deg C   EXP
pKa Dissociation Constant 0.78 (none) 24 EXP
log P (octanol-water) 3.5 (none)   EXP
Water Solubility 53 mg/L 20 EXP
Henry's Law Constant 2.69E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.94E-10 cm3/molecule-sec 25 EXP

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