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Tetrakis(2-chloroethyl) diphosphate

HCID 225331
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Basic information

CAS
53963-13-6
Standard SMILES
O=P(OCCCl)(OCCCl)OP(=O)(OCCCl)OCCCl
InChIKey
KGUOHCQJKKPIOI-UHFFFAOYSA-N
Molecular formula
C8H16Cl4O7P2
Average molar mass
428 g/mol
Monoisotopic mass
425.912538

Names & identifiers

Preferred name
Tetrakis(2-chloroethyl) diphosphate
IUPAC
bis(2-chloroethoxy)phosphoryl bis(2-chloroethyl) phosphate
English name
1-[bis(2-chloroethoxy)phosphoryloxy-(2-chloroethoxy)phosphoryl]oxy-2-c hloro-ethane
Molecular formula
C8H16Cl4O7P2
Molecular weight
427.97

Names & synonyms

53963-13-6tetrakis(2-chloroethyl) diphosphateNSC14552SCHEMBL4648149DTXSID80279914NSC 14552NSC-14552Diphosphoric acid, tetrakis(2-chloroethyl) ester (9CI)1-[bis(2-chloroethoxy)phosphoryloxy-(2-chloroethoxy)phosphoryl]oxy-2-c hloro-ethane

Database identifiers

CAS
53963-13-6
PubChem CID
225331
DTXSID
DTXSID80279914

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
14
Heavy atoms
21
Formal charge
0
Complexity
304

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes