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Substance Name: N-Nitrosodiphenylamine
RN: 86-30-6
UNII: AP2V89J1DA
InChIKey: UBUCNCOMADRQHX-UHFFFAOYSA-N

Molecular Formula

  • C12-H10-N2-O

Molecular Weight

  • 198.224
 

Classification Codes

Classification Codes

  • Carcinogens
  • Mutation Data
  • Noxae
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 205
  • 2011 CERCLA Priority List, Rank: 206
  • Overall Carcinogenic Evaluation: Group 3
  • Reportable Quantity (RQ) = 100 lb

Names and Synonyms

Name of Substance

  • N-Nitrosodiphenylamine

Synonyms

  • 4-16-00-00865 (Beilstein Handbook Reference)
  • AI3-00698
  • BRN 0909531
  • CCRIS 464
  • Curetard A
  • Delac J
  • Difenylnitrosamin
  • Difenylnitrosamin [Czech]
  • Diphenyl N-nitrosoamine
  • Diphenylamine, N-nitroso-
  • Diphenylnitrosamin
  • Diphenylnitrosamin [German]
  • Diphenylnitrosamine
  • EINECS 201-663-0
  • HSDB 2875
  • N,N-Diphenylnitrosamine
  • N-Nitroso-N-phenylaniline
  • N-Nitroso-N-phenylbenzenamine
  • N-Nitrosodifenylamin
  • N-Nitrosodifenylamin [Czech]
  • N-Nitrosodiphenylamine
  • Naugard TJB
  • NCI-C02880
  • Nitrosodiphenylamine
  • NSC 585
  • Ortard
  • Redax
  • Retarder J
  • Sconoc
  • TJB
  • UNII-AP2V89J1DA
  • Vulcalent A
  • Vulcatard A
  • Vulkalent A
  • Vulkalent A [Czech]
  • Vultrol

Systematic Names

  • Benzenamine, N-nitroso-N-phenyl-
  • Diphenylamine, N-nitroso-
  • N-Nitroso-N-phenylbenzenamine
  • N-Nitrosodiphenylamine
  • Nitrosodiphenylamine

Superlist Names

  • Benzenamine, N-nitroso-N-phenyl-
  • N-Nitrosodiphenylamine

Registry Numbers

CAS Registry Number

  • 86-30-6

FDA UNII

  • AP2V89J1DA

System Generated Number

  • 0000086306

Structure Descriptors

InChI

1S/C12H10N2O/c15-13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChIKey

UBUCNCOMADRQHX-UHFFFAOYSA-N

Smiles

N(c1ccccc1)(c1ccccc1)N=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Progress in Mutation Research. Vol. 1, Pg. 682, 1981.
mouse LD50 oral 1860mg/kg (1860mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(1), Pg. 18, 1980.
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. 64, 1990.
rat LD50 oral 1825mg/kg (1825mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(1), Pg. 18, 1980.
rat LD50 unreported 3gm/kg (3000mg/kg)   Gann Monograph on Cancer Research. Vol. 17, Pg. 107, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 66.5 deg C   EXP
log P (octanol-water) 3.13 (none)   EXP
Water Solubility 35 mg/L 25 EXP
Vapor Pressure 0.100 mm Hg 25 EST
Henry's Law Constant 1.21E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.48E-11 cm3/molecule-sec 25 EST

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