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Substance Name: 1,1,1,3,3,3-Hexachloropropane
RN: 3607-78-1
InChIKey: BBEAZDGZMVABIC-UHFFFAOYSA-N

Classification Codes

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)
  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C3-H2-Cl6

Molecular Weight

  • 250.767
 
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Names and Synonyms

Name of Substance

  • 1,1,1,3,3,3-Hexachloropropane

Systematic Name

  • Propane, 1,1,1,3,3,3-hexachloro-

Registry Numbers

CAS Registry Number

  • 3607-78-1

System Generated Number

  • 0003607781

Structure Descriptors

InChI

1S/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2

InChIKey

BBEAZDGZMVABIC-UHFFFAOYSA-N

Smiles

C(CC(Cl)(Cl)Cl)(Cl)(Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.70E+01 deg C   EXP
Boiling Point 206 deg C   EXP
log P (octanol-water) 4.530 (none)   EST
Water Solubility 3.200 mg/L 25 EST
Vapor Pressure 1.180 mm Hg 25 EST
Henry's Law Constant 2.48E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.45E-15 cm3/molecule-sec 25 EST

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