Hexachloropropene

CAT: 0127-OR1026986-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR1026986-01Size:5 g

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CAS Number

1888-71-7

Synonyms

1,1,2,3,3,3-hexachloroprop-1-ene

Purity

98%

Smiles

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

Chemical Information

1,1,2,3,3,3-Hexachloro-1-propene

Hexachloropropene is a clear colorless liquid. Insoluble in water. Used as a plasticizer and hydraulic fluid.

CAS Number	1888-71-7
PubChem CID	15902
IUPAC Name	1,1,2,3,3,3-hexachloroprop-1-ene
Molecular Formula	C3Cl6
Molecular Weight	248.7
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	126

SMILES

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

InChI

InChI=1S/C3Cl6/c4-1(2(5)6)3(7,8)9

InChIKey

VFDYKPARTDCDCU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1888-71-7

CID: 15902

Formula: C3Cl6

MW: 248.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	248.7
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	247.810166
Monoisotopic Mass	245.813116
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	126
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
H188870	Hexachloropropene
H02770-01	Hexachloropropene 96%
RESVOC053	SVOC Std Hexachloropropene 1000ug/mL in MeOH - 1ML
RESVOC054	SVOC Std Hexachloropropene 2000ug/mL in MeOH - 1ML