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Substance Name: 1-Amino-2-chloro-4-nitrobenzene
RN: 121-87-9
UNII: XSA3ZX337B
InChIKey: LOCWBQIWHWIRGN-UHFFFAOYSA-N

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

  • 1-Amino-2-chloro-4-nitrobenzene
  • 2-Chloro-4-nitroaniline

Synonyms

  • 1-Amino-2-chloro-4-nitrobenzene
  • 2-Chloro-4-nitroaniline
  • 2-Chloro-4-nitrobenzenamine
  • 4-12-00-01675 (Beilstein Handbook Reference)
  • 4-Nitro-2-chloroaniline
  • AI3-09084
  • Aniline, 2-chloro-4-nitro-
  • Benzenamine, 2-chloro-4-nitro-
  • BRN 0638657
  • CCRIS 2648
  • EINECS 204-502-2
  • HSDB 5405
  • NSC 3548
  • o-Chloro-p-nitroaniline
  • Ocpna
  • ortho-Chloro-para-nitroaniline
  • UNII-XSA3ZX337B

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 121-87-9

FDA UNII

  • XSA3ZX337B

System Generated Number

  • 0000121879

Structure Descriptors

InChI

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

InChIKey

LOCWBQIWHWIRGN-UHFFFAOYSA-N

Smiles

c1(cc(c(N)cc1)Cl)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 1800mg/kg (1800mg/kg) BEHAVIORAL: GENERAL ANESTHETIC National Technical Information Service. Vol. OTS0536149,
mouse LD50 intravenous 56mg/kg (56mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 138, 1954.
mouse LD50 oral 1250mg/kg (1250mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.
mouse LDLo intraperitoneal 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 337, 1953.
rat LD50 oral 6430mg/kg (6430mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(8), Pg. 50, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 108 deg C   EXP
pKa Dissociation Constant -0.94 (none) 25 EXP
log P (octanol-water) 2.120 (none)   EST
Water Solubility 933 mg/L 25 EST
Vapor Pressure 4.85E-04 mm Hg 25 EST
Henry's Law Constant 9.54E-09 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.93E-12 cm3/molecule-sec 25 EST

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