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Substance Name: 2-Nitro-p-phenylenediamine
RN: 5307-14-2
UNII: PV83F3C01Q
InChIKey: HVHNMNGARPCGGD-UHFFFAOYSA-N

Note

  • 2-nitro-1,4-benzenediamine.

Molecular Formula

  • C6-H7-N3-O2

Molecular Weight

  • 153.1403
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Name of Substance

  • 1,4-Benzenediamine, 2-nitro-
  • 2-Nitro-1,4-diaminobenzene
  • 2-Nitro-4-phenylenediamine
  • 2-Nitro-p-phenylenediamine
  • CI 76070
  • o-Nitro-p-phenylenediamine

Synonyms

  • 1,4-Benzenediamine, 2-nitro-
  • 1,4-Diamino-2-nitrobenzene
  • 1,4-Diaminonitrobenzol
  • 1,4-Diaminonitrobenzol [German]
  • 2,5-Diaminonitrobenzene
  • 2-N-p-PDA
  • 2-Nitro-1,4-benzenediamine
  • 2-Nitro-1,4-diaminobenzene
  • 2-Nitro-1,4-phenylenediamine
  • 2-Nitro-4-aminoaniline
  • 2-Nitro-4-phenylenediamine
  • 2-Nitro-p-phenylenediamine
  • 2-Nitrol-p-phenylenediamine
  • 2-Nitrol-para-phenylenediamine
  • 2-NPPD
  • 3-13-00-00271 (Beilstein Handbook Reference)
  • 4-Amino-2-nitroaniline
  • AI3-52604
  • BRN 2210195
  • C.I. 76070
  • C.I. Oxidation Base 22
  • CCRIS 452
  • CI 76070
  • CI Oxidation Base 22
  • Durafur Brown
  • Durafur Brown 2R
  • Dye GS
  • EINECS 226-164-5
  • Fouramine 2R
  • Fourrine 36
  • Fourrine Brown 2R
  • HSDB 4098
  • NCI-C02222
  • Nitro-p-phenylenediamine
  • NSC 5377
  • o-Nitro-p-phenylenediamine
  • Oxidation Base 22
  • p-Phenylenediamine, 2-nitro-
  • UNII-PV83F3C01Q
  • Ursol Brown RR
  • Zoba Brown RR

Systematic Names

  • 1,4-Benzenediamine, 2-nitro-
  • 2-Nitro-1,4-benzenediamine
  • 2-Nitro-p-phenylenediamine
  • p-Phenylenediamine, 2-nitro-

Superlist Names

  • 1,4-Diamino-2-nitrobenzene
  • 2-Nitro-p-phenylenediamine
  • 2-Nitro-para-phenylenediamine
  • 4-Amino-2-nitroaniline

Registry Numbers

CAS Registry Number

  • 5307-14-2

FDA UNII

  • PV83F3C01Q

Other Registry Number

  • 29467-01-4

Related Registry Numbers

  • 18266-52-9 (di-hydrochloride)
  • 68239-83-8 (sulfate[1:1])

System Generated Number

  • 0005307142

Structure Descriptors

InChI

1S/C6H7N3O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,7-8H2

InChIKey

HVHNMNGARPCGGD-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 214mg/kg (214mg/kg)   Genetica Polonica. Vol. 26, Pg. 109, 1985.
rat LD50 intraperitoneal 348mg/kg (348mg/kg)   Journal of Toxicology and Environmental Health. Vol. 2, Pg. 657, 1977.
rat LD50 oral 2100mg/kg (2100mg/kg) KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION Journal of the Society of Cosmetic Chemists. Vol. 23, Pg. 259, 1972.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 137-140 deg C   EXP
log P (octanol-water) 0.53 (none)   EXP
Water Solubility 2.59E+04 mg/L 25 EST
Vapor Pressure 5.60E-05 mm Hg 25 EST
Henry's Law Constant 5.81E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.20E-11 cm3/molecule-sec 25 EST

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