Hexachlorophosphazene

CAT: 0127-OR30304-03Size: 500 gDry Ice: NoHazardous: No

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CAT#:0127-OR30304-03Size:500 g

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CAS Number

940-71-6

Synonyms

Phosphonitrilic chloride trimer, 2,2,4,4,6,6-Hexachloro-1,3,5-triazatriphosphinine

MDL Number

MFCD00006474

Purity

97%

Smiles

Clp1(Cl)np(Cl)(Cl)np(Cl)(Cl)n1

Chemical Information

Hexachlorocyclotriphosphazene

RN given refers to parent cpd; structure

CAS Number	940-71-6
PubChem CID	220225
IUPAC Name	2,2,4,4,6,6-hexachloro-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
Molecular Formula	Cl6N3P3
Molecular Weight	347.7
XLogP	5.3
Topological Polar Surface Area	37.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	252

SMILES

N1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl

InChI

InChI=1S/Cl6N3P3/c1-10(2)7-11(3,4)9-12(5,6)8-10

InChIKey

UBIJTWDKTYCPMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 940-71-6

CID: 220225

Formula: Cl6N3P3

MW: 347.7

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	347.7
XLogP3	5.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	346.740674
Monoisotopic Mass	344.743624
Topological Polar Surface Area	37.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	252
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