Hexachloroethane

CAT: 0127-OR460049-03Size: 5 KgDry Ice: NoHazardous: No

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CAT#:0127-OR460049-03Size:5 Kg

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CAS Number

67-72-1

MDL Number

MFCD00000799

Purity

99%

Smiles

ClC(Cl)(Cl)C(Cl)(Cl)Cl

Chemical Information

Hexachloroethane

Hexachloroethane can cause cancer according to The National Institute for Occupational Safety and Health (NIOSH) and The National Toxicology Program.

CAS Number	67-72-1
PubChem CID	6214
IUPAC Name	1,1,1,2,2,2-hexachloroethane
Molecular Formula	C2Cl6
Molecular Weight	236.7
XLogP	4.1
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	61

SMILES

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

InChI

InChI=1S/C2Cl6/c3-1(4,5)2(6,7)8

InChIKey

VHHHONWQHHHLTI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 67-72-1

CID: 6214

Formula: C2Cl6

MW: 236.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.7
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	235.810166
Monoisotopic Mass	233.813116
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	61.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-A260857-01	Hexachloroethane
H02658-01	Hexachloroethane 98%
H290851	Hexachloroethane-13C1
60805-01	Hexachloroethane pure, 99%
REVOC368N	VOC Hexachloroethane Neat - 10MG
REVOC369	VOC Std Hexachloroethane 2000ug/mL in MeOH - 1ML
REVOC368	VOC Std Hexachloroethane 1000ug/mL in MeOH - 1ML