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Substance Name: 1,2,3-Trichlorobenzene
RN: 87-61-6
UNII: NUR9777IK4
InChIKey: RELMFMZEBKVZJC-UHFFFAOYSA-N

Molecular Formula

  • C6-H3-Cl3

Molecular Weight

  • 181.449
 

Classification Codes

Classification Code

  • Mutation Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 116
  • 2011 CERCLA Priority List, Rank: 139
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Names and Synonyms

Name of Substance

  • 1,2,3-Trichlorobenzene

Synonyms

  • 1,2,3-Trichlorobenzene
  • 1,2,6-Trichlorobenzene
  • 4-05-00-00664 (Beilstein Handbook Reference)
  • AI3-15516
  • Benzene, 1,2,3-trichloro-
  • BRN 0956882
  • CCRIS 5944
  • EC 201-757-1
  • EINECS 201-757-1
  • HSDB 1502
  • NSC 43432
  • UNII-NUR9777IK4
  • vic-Trichlorobenzene

Systematic Names

  • 1,2,3-Trichlorobenzene
  • Benzene, 1,2,3-trichloro-

Superlist Names

  • 1,2,3-Trichlorobenzene
  • Benzene, 1,2,3-trichloro-

Registry Numbers

CAS Registry Number

  • 87-61-6

FDA UNII

  • NUR9777IK4

System Generated Number

  • 0000087616

Structure Descriptors

InChI

1S/C6H3Cl3/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChIKey

RELMFMZEBKVZJC-UHFFFAOYSA-N

Smiles

c1(c(cccc1Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1390mg/kg (1390mg/kg)   Mutagenesis. Vol. 2, Pg. 111, 1987.
rat LD50 oral 1830mg/kg (1830mg/kg)   Drug and Chemical Toxicology. Vol. 11, Pg. 11, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 53.5 deg C   EXP
Boiling Point 218.5 deg C   EXP
log P (octanol-water) 4.05 (none)   EXP
Water Solubility 18 mg/L 25 EXP
Vapor Pressure 0.21 mm Hg 25 EXP
Henry's Law Constant 0.00125 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.82E-13 cm3/molecule-sec 25 EST

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