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Home Halogens 1,1,1,3,3,3-Hexachloropropane

1,1,1,3,3,3-Hexachloropropane

CAS No.:
3607-78-1
Catalog Number:
AG007BM4
Molecular Formula:
C3H2Cl6
Molecular Weight:
250.7660
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Product Description
Catalog Number:
AG007BM4
Chemical Name:
1,1,1,3,3,3-Hexachloropropane
CAS Number:
3607-78-1
Molecular Formula:
C3H2Cl6
Molecular Weight:
250.7660
MDL Number:
MFCD02184065
IUPAC Name:
1,1,1,3,3,3-hexachloropropane
InChI:
InChI=1S/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2
InChI Key:
BBEAZDGZMVABIC-UHFFFAOYSA-N
SMILES:
ClC(CC(Cl)(Cl)Cl)(Cl)Cl
Properties
Complexity:
73.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.826g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.749g/mol
Monoisotopic Mass:
247.829g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Determination of partition coefficients of refrigerants by gas liquid chromatographic headspace analysis. Journal of chromatography. A 20121123
Developmental toxicity and genotoxicity studies of 1,1,1,3,3,3-hexachloropropane (HCC-230fa) in rats. Toxicological sciences : an official journal of the Society of Toxicology 20031001
Subchronic inhalation toxicity of the chlorinated propane 1,1,1,3,3,3-hexachloropropane (HCC-230fa). Toxicological sciences : an official journal of the Society of Toxicology 20010701
Properties