Skip Navigation
ChemIDplus LiteBrowseAdvanced

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

Classification Code

  • TSCA Flag TP (Subject to the Proposed TSCA Section 4 Test Rule)

Molecular Formula

  • C6-H2-Cl3-N-O2

Molecular Weight

  • 226.446
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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

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

InChIKey

IBRBMZRLVYKVRF-UHFFFAOYSA-N

Smiles

[O-][N+](=O)c1cc(Cl)c(Cl)cc1Cl

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.