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Substance Name: 4-Chloro-2-nitroaniline
RN: 89-63-4
UNII: 1929LY233C
InChIKey: PBGKNXWGYQPUJK-UHFFFAOYSA-N

Note

  • Intermediate in manufacture of pigments.

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H5-Cl-N2-O2

Molecular Weight

  • 172.57
 
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Names and Synonyms

Name of Substance

  • 4-Chloro-2-nitroaniline

Synonyms

  • 2-Nitro-4-chloroaniline
  • 4-12-00-01669 (Beilstein Handbook Reference)
  • 4-Chloro-2-nitroaniline
  • 4-Chloro-2-nitrobenzenamine
  • AI3-02918
  • Aniline, 4-chloro-2-nitro-
  • Azoene Fast Red 3GL Base
  • Azoene Fast Red 3GL Salt
  • Azofix Red 3GL Salt
  • Azofly Red 3GL Salt
  • Azoic Diazo Component 9
  • Benzenamide, 4-chloro-2-nitro-
  • BRN 0512436
  • C.I. 37040
  • C.I. Azoic Diazo Component 9
  • CCRIS 3110
  • CI 37040
  • Daito Red Base 3GL
  • Daito Red Salt 3GL
  • Devol Red F
  • Devol Red Salt F
  • Diazo Fast Red 3GL
  • EC 201-925-4
  • EINECS 201-925-4
  • Fast Red 2NC Base
  • Fast Red 2NC Salt
  • Fast Red 3GL Base
  • Fast Red 3GL Salt
  • Fast Red 3GL Special Base
  • Fast Red 3GL Special Salt
  • Fast Red Base 3GL Special
  • Fast Red Base 3JL
  • Fast Red Salt 3GL
  • Fast Red Salt 3JL
  • Hiltonil Fast Red 3GL Base
  • Hiltosal Fast Red 3GL Salt
  • HSDB 5182
  • Kayaku Fast Red 3GL Base
  • Kayaku Red Salt 3GL
  • Kayaku Red Salt GL
  • Mitsui Red 3GL Base
  • Mitsui Red 3GL Salt
  • Naphthanil Red 3G Base
  • Naphtoelan Fast Red 3GL Base
  • Naphtoelan Fast Red 3GL Salt
  • Naptoelan Fast Red 3GL Salt
  • NCI-C60355
  • NSC 3546
  • p-Chloro-o-nitroaniline
  • PCON
  • Pcona
  • Red 3G Base
  • Red 3G Salt
  • Red 3GS Salt
  • Red Base 3 GL
  • Red Base 3GL
  • Red Base Ciba VI
  • Red Base IRGA VI
  • Red Salt Ciba VI
  • Red Salt Irga VI
  • Red Salt NBGL
  • Sanyo Fast Red Salt 3GL
  • Shinnippon Fast Red 3GL Base
  • Symulon Red 3GL Salt
  • UNII-1929LY233C

Systematic Names

  • 2-Nitro-4-chloroaniline
  • 4-Chloro-2-nitroaniline
  • Aniline, 4-chloro-2-nitro-
  • Benzenamine, 4-chloro-2-nitro-

Registry Numbers

CAS Registry Number

  • 89-63-4

FDA UNII

  • 1929LY233C

System Generated Number

  • 0000089634

Structure Descriptors

InChI

1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

InChIKey

PBGKNXWGYQPUJK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 3gm/kg (3000mg/kg) BEHAVIORAL: GENERAL ANESTHETIC National Technical Information Service. Vol. OTS0536149,
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Office of Toxic Substances Report. Vol. OTS,
mouse LD50 intravenous 63mg/kg (63mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 139, 1954.
mouse LD50 oral 800mg/kg (800mg/kg)   Office of Toxic Substances Report. Vol. OTS,
rat LD50 intraperitoneal 200mg/kg (200mg/kg)   Office of Toxic Substances Report. Vol. OTS,
rat LD50 oral 400mg/kg (400mg/kg)   Office of Toxic Substances Report. Vol. OTS,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 118 deg C   EXP
pKa Dissociation Constant -1.02E+00 (none) 25 EXP
log P (octanol-water) 2.72 (none)   EXP
Water Solubility 500 mg/L 20 EXP
Vapor Pressure 4.85E-04 mm Hg 25 EST
Henry's Law Constant 1.22E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.93E-12 cm3/molecule-sec 25 EST

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