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Substance Name: 2,3,4,5,6-Pentachlorotoluene
RN: 877-11-2
InChIKey: AVSIMRGRHWKCAY-UHFFFAOYSA-N

Molecular Formula

  • C7-H3-Cl5

Molecular Weight

  • 264.366
 
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Names and Synonyms

Name of Substance

  • 2,3,4,5,6-Pentachlorotoluene

Synonyms

  • 2,3,4,5,6-Pentachlorotoluene
  • NSC 16046
  • Pentachlorotoluene

Systematic Names

  • Benzene, pentachloromethyl- (9CI)
  • Toluene, 2,3,4,5,6-pentachloro- (8CI)

Registry Numbers

CAS Registry Number

  • 877-11-2

System Generated Number

  • 0000877112

Structure Descriptors

InChI

1S/C7H3Cl5/c1-2-3(8)5(10)7(12)6(11)4(2)9/h1H3

InChIKey

AVSIMRGRHWKCAY-UHFFFAOYSA-N

Smiles

c1(c(c(c(Cl)c(c1Cl)Cl)Cl)Cl)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 224.8 deg C   EXP
Boiling Point 301 deg C   EXP
log P (octanol-water) 5.62 (none)   EXP
Water Solubility 0.236 mg/L 25 EST
Vapor Pressure 1.34E-05 mm Hg 25 EST
Henry's Law Constant 7.70E-04 atm-m3/mole 20 EXP
Atmospheric OH Rate Constant 2.07E-13 cm3/molecule-sec 25 EST

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