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Substance Name: 4-Nitroaniline
RN: 100-01-6
UNII: 1MRQ0QZG7G
InChIKey: TYMLOMAKGOJONV-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-N2-O2

Molecular Weight

  • 138.125
 

Classification Codes

Classification Codes

  • Mutation Data
  • Reproductive Effect
  • TSCA Flag T (Subject to the Final TSCA Section 4 Test Rule)
  • Tumor Data

Superlist Classification Codes

  • Reportable Quantity (RQ) = 5000 lb
  • TWA 1 ppm (6 mg/m3); skin
  • TWA 3 mg/m3; skin; Not classifiable as a human carcinogen; BEI

Names and Synonyms

Name of Substance

  • 4-Nitroaniline
  • p-Nitroaniline

Synonyms

  • 1-Amino-4-nitrobenzene
  • 4-Nitraniline
  • 4-Nitroaniline
  • 4-Nitrobenzenamine
  • AI3-08926
  • Aniline, 4-nitro-
  • Aniline, p-nitro-
  • Azoamine Red ZH
  • Azofix Red GG Salt
  • Azoic Diazo Component 37
  • Benzenamine, 4-nitro-
  • C.I. 37035
  • C.I. Azoic Diazo Component 37
  • C.I. Developer 17
  • CCRIS 1184
  • CI 37035
  • CI Azoic Diazo Component 37
  • CI Developer 17
  • Developer P
  • Devol Red GG
  • Diazo Fast Red GG
  • EC 202-810-1
  • EINECS 202-810-1
  • Fast Red 2G Base
  • Fast Red 2G Salt
  • Fast Red Base 2J
  • Fast Red Base GG
  • Fast Red GG Base
  • Fast Red GG Salt
  • Fast Red MP Base
  • Fast Red P Base
  • Fast Red P Salt
  • Fast Red Salt 2J
  • Fast Red Salt GG
  • HSDB 1156
  • Naphtoelan Red GG Base
  • NCI-C60786
  • Nitrazol CF Extra
  • NSC 9797
  • p-Aminonitrobenzene
  • p-Nitraniline
  • p-Nitroanilina
  • p-Nitroanilina [Polish]
  • p-Nitroaniline
  • p-Nitrophenylamine
  • para-Aminonitrobenzene
  • para-Nitroaniline
  • PNA
  • PNA (VAN)
  • RCRA waste number P077
  • Red 2G Base
  • Shinnippon Fast Red GG Base
  • UNII-1MRQ0QZG7G

Systematic Names

  • 4-Nitroaniline
  • Aniline, p-nitro-
  • Benzenamine, 4-nitro-
  • p-Nitroaniline

Superlist Names

  • Aniline, p-nitro-
  • Benzenamine, 4-nitro-
  • p-Nitroaniline
  • p-Nitroaniline [UN1661] [Poison]
  • RCRA waste no. P077
  • UN1661

Registry Numbers

CAS Registry Number

  • 100-01-6

FDA UNII

  • 1MRQ0QZG7G

Other Registry Number

  • 1309774-69-3

Related Registry Numbers

  • 15873-51-5 (mono-hydrochloride)
  • 38013-32-0 (sulfate[2:1])
  • 66827-74-5 (mercury(2+) salt[2:1])

System Generated Number

  • 0000100016

Structure Descriptors

InChI

InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2

InChIKey

TYMLOMAKGOJONV-UHFFFAOYSA-N

Smiles

Nc1ccc(cc1)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 75mg/kg (75mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
guinea pig LD50 oral 450mg/kg (450mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Voprosy Kommunal'noi Gigieny. Problems of Communal Hygiene. Vol. 6, Pg. 89, 1966.
guinea pig LD50 skin > 500mg/kg (500mg/kg)   National Technical Information Service. Vol. OTS0572389,
mammal (species unspecified) LDLo intravenous 40mg/kg (40mg/kg) BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN U.S. Public Health Service, Public Health Bulletin. Vol. 271, Pg. 34, 1941.
mouse LD50 intramuscular 800mg/kg (800mg/kg)   Igiena. Vol. 15, Pg. 151, 1966.
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   National Technical Information Service. Vol. AD691-490,
mouse LD50 oral 810mg/kg (810mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.
quail LD50 oral 1gm/kg (1000mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 12, Pg. 355, 1983.
rat LD50 oral 750mg/kg (750mg/kg)   Ceskoslovenska Hygiena. Czechoslovak Hygiene. Vol. 23, Pg. 168, 1978.
rat LDLo intraperitoneal 600mg/kg (600mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 92, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 147 deg C   EXP
Boiling Point 332 deg C   EXP
pKa Dissociation Constant 1 (none) 25 EXP
log P (octanol-water) 1.39 (none)   EXP
Water Solubility 728 mg/L 30 EXP
Henry's Law Constant 1.26E-09 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.35E-11 cm3/molecule-sec 25 EST

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