Tetraethyl [(dimethylamino)methylene]bisphosphonate
Basic information
- CAS
18855-52-2- Standard SMILES
CCOP(=O)(OCC)C(N(C)C)P(=O)(OCC)OCC- InChIKey
SQDDGOVNJMIFFT-UHFFFAOYSA-N- Molecular formula
- C11H27NO6P2
- Average molar mass
- 331.28 g/mol
- Monoisotopic mass
- 331.13136158
Names & identifiers
- Preferred name
- Tetraethyl [(dimethylamino)methylene]bisphosphonate
- IUPAC
- 1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanamine
- English name
- Tetraethyl dimethylaminomethylenediphosphonate
- Molecular formula
- C11H27NO6P2
- Molecular weight
- 331.28
Names & synonyms
18855-52-2Tetraethyl ((dimethylamino)methylene)bisphosphonateEINECS 242-627-4DTXSID30172224Tetraethyl [(dimethylamino)methylene]bisphosphonateRefChem:896968DTXCID7094715242-627-4Tetraethyl dimethylaminomethylenediphosphonateTetraethyl ((dimethylamino)methylene)bis(phosphonate)1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanaminePhosphonic acid, [(dimethylamino)methylene]bis-, tetraethyl ester
Show more names
Tetraethyl-[(dimethylamino)-methylene]-diphosphonaTetraethyl dimethylaminomethylenediphosphonate 98%TETRAETHYL((DIMETHYLAMINO)METHYLENE)BISPHOSPHONATE(dimethylaminomethylene)diphosphonic acid tetraethyl ester[(Dimethylamino)methylene]bis(phosphonic acid diethyl) ester[(Dimethylamino)methylene]bis(phosphonic acid)tetraethyl ester
Phosphonic acid, P,P'-[(dimethylamino)methylene]bis-, P,P,P',P'-tetraethyl esterTetraethyl (dimethylaminomethylene)diphosphonate1,1-bis(diethoxyphosphoryl)-N,N-dimethyl-methanamine[(diethoxy-phosphoryl)-dimethylamino-methyl]-phosphonic acid diethyl esterTetraethyl [(dimethylamino)methylene]bis(phosphonate)tetraethyl dimethylaminomethylene diphosphonateJEW2H4KL4PSCHEMBL2786870
Database identifiers
- CAS
18855-52-2- PubChem CID
- 86795
- DTXSID
DTXSID30172224- UNII
- JEW2H4KL4P
- EC Number
- 242-627-4
- Nikkaji
- J224.791G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Physicochemical properties
- Boiling point
- 138 · 138-140°C 1mm
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- refractive index
- 1.459 · 1.4590
- Flash point
- 138 · 138-140°C/1mm
- pka
- 4.68 · 4.68±0.50(Predicted)
- Water Solubility
- Not miscible or difficult to mix in water.
- BRN
- 1914890 · 1914890
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesTetraethyl (dimethylaminomethylene)diphosphonate undergoes Horner-Wadsworth-Emmons olefination with an aldehyde gives the -phosphonato enamine, readily convertible to the homologous acid.
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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