Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo(2.2.2)oct-4-yl)methyl ester
Basic information
- CAS
63451-46-7- Standard SMILES
O=P(OCCCl)(OCCCl)OCC12COP(=O)(OC1)OC2- InChIKey
GFBXHAARYSFJKM-UHFFFAOYSA-N- Molecular formula
- C9H16Cl2O8P2
- Average molar mass
- 385.07 g/mol
- Monoisotopic mass
- 383.9697468
Names & identifiers
- Preferred name
- Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo(2.2.2)oct-4-yl)methyl ester
- IUPAC
- bis(2-chloroethyl) (1-oxo-2,6,7-trioxa-1λ5-phosphabicyclo[2.2.2]octan-4-yl)methyl phosphate
- English name
- 4-[[[Bis(2-chloroethoxy)phosphinyl]oxy]methyl]-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-oxide
- Molecular formula
- C9H16Cl2O8P2
- Molecular weight
- 385.07
Names & synonyms
63451-46-7Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]oct-4-yl)methyl esterDTXSID3069857Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo(2.2.2)oct-4-yl)methyl esterRefChem:173691DTXCID7043879GFBXHAARYSFJKM-UHFFFAOYSA-NBis(2-chloroethyl) (1-oxo-2,6,7-trioxa-1lambda~5~-phosphabicyclo[2.2.2]octan-4-yl)methyl phosphate4-[[[Bis(2-chloroethoxy)phosphinyl]oxy]methyl]-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane1-oxide
Database identifiers
- CAS
63451-46-7- PubChem CID
- 112667
- DTXSID
DTXSID3069857- Nikkaji
- J429.575G
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- EPA Substance Registry System
- Phosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]oct-4-yl)methyl ester (63451-46-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphoric acid, bis(2-chloroethyl) (1-oxido-2,6,7-trioxa-1-phosphabicyclo[2.2.2]oct-4-yl)methyl ester: INACTIVE
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Related reactions
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Compound notes
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