Pyrophosphoryl Chloride

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CAS Number

13498-14-1

Synonyms

Diphosphoryl chloride

Purity

98%

Smiles

O=P(OP(=O)(Cl)Cl)(Cl)Cl

Chemical Information

Diphosphoryl tetrachloride

CAS Number	13498-14-1
PubChem CID	4432411
Molecular Formula	Cl4O3P2
Molecular Weight	251.8
XLogP	1.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	154

SMILES

O=P(OP(=O)(Cl)Cl)(Cl)Cl

InChI

InChI=1S/Cl4O3P2/c1-8(2,5)7-9(3,4)6

InChIKey

CNTIXUGILVWVHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13498-14-1

CID: 4432411

Formula: Cl4O3P2

MW: 251.8

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.8
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	251.804729
Monoisotopic Mass	249.807679
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	154
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

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Catalog	Name
1162120 500	Pyrophosphoryl chloride
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3125225	Stannous chloride (tin chloride)
3123430	Manganous chloride (Manganese chloride)
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3121825	Cupric chloride (Copper chloride)
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3121705	Copper chloride (Cupric chloride)