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Substance Name: 2,4,5-Trichloronitrobenzene
RN: 89-69-0
UNII: 0YFY8PZD2M
InChIKey: IBRBMZRLVYKVRF-UHFFFAOYSA-N

Molecular Formula

  • C6-H2-Cl3-N-O2

Molecular Weight

  • 226.446
 
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Names and Synonyms

Name of Substance

  • 2,4,5-Trichloronitrobenzene

Synonyms

  • 1,2,4-Trichloro-5-nitrobenzene
  • 2,4,5-Trichloronitrobenzene
  • 3,4,6-Trichloronitrobenzene
  • 4-05-00-00728 (Beilstein Handbook Reference)
  • BRN 1959066
  • EINECS 201-931-7
  • NSC 50660
  • UNII-0YFY8PZD2M

Systematic Names

  • 5-Nitro-1,2,4-trichlorobenzene
  • Benzene, 1,2,4-trichloro-5-nitro-

Registry Numbers

CAS Registry Number

  • 89-69-0

FDA UNII

  • 0YFY8PZD2M

System Generated Number

  • 0000089690

Structure Descriptors

InChI

1S/C6H2Cl3NO2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H

InChIKey

IBRBMZRLVYKVRF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
bird - wild LD50 oral 100mg/kg (100mg/kg)   Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972.
mouse LDLo oral 1070mg/kg (1070mg/kg)   Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 57.5 deg C   EXP
Boiling Point 288 deg C   EXP
log P (octanol-water) 3.48 (none)   EXP
Water Solubility 29.4 mg/L 20 EXP
Vapor Pressure 7.92E-04 mm Hg 25 EST
Henry's Law Constant 8.65E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.52E-14 cm3/molecule-sec 25 EST

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