Phosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxide
Basic information
- CAS
1474-78-8- Standard SMILES
CCOC(=O)P(=O)(OCC)OCC- InChIKey
NOJFJZZMRDSOLM-UHFFFAOYSA-N- Molecular formula
- C7H15O5P
- Average molar mass
- 210.16 g/mol
- Monoisotopic mass
- 210.06571057
Names & identifiers
- Preferred name
- Phosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxide
- IUPAC
- ethyl diethoxyphosphorylformate
- English name
- Ethyl diethoxyphosphinylformate
- Molecular formula
- C7H15O5P
- Molecular weight
- 210.16
Names & synonyms
1474-78-8Triethyl carboxyphosphonateDiethyl carbethoxyphosphonatePhosphinecarboxylic acid, diethoxy-, ethyl ester, oxideEthyl diethyl-phosphonoformateTUX6M928IDDTXSID3061718Phosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxideDiethyoxyphosphinecarboxylic acid, ethyl ester, oxideRefChem:138917DTXCID8034794phosphonoformic acid, triethyl ester
Show more names
Foscarnet EP Impurity DFoscarate EP Impurity DFoscarnet impurity D CRSFoscarnet Related CoMpound DTRIETHYL PHOSPHONOFORMATE 98%Foscarnet Sodium EP Impurity D
Ethyl diethoxyphosphinylformateTriethyl phosphonoformateethyl (diethoxyphosphoryl)formateethyl diethoxyphosphorylformateDiethyl ethoxycarbonylphosphonateDiethyl (Ethoxycarbonyl)phosphonateTriethyl phosphonomethanoateMFCD00009108
Database identifiers
- CAS
1474-78-8- PubChem CID
- 65081
- DTXSID
DTXSID3061718- UNII
- TUX6M928ID
- EC Number
- 216-016-8
- Nikkaji
- J206.679C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- Boiling point
- 135 °C12 · 135 °C12 mm Hg(lit.)
- Density
- 1.11 g/mL · 1.11 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.423(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- color
- Colorless to Almost colorless
- Specific Gravity
- 1.11 · 1.11
- BRN
- 1781949 · 1781949
- Stability
- Moisture Sensitive
- InChI
- 1S/C7H15O5P/c1-4-10-7(8)13(9,11-5-2)12-6-3/h4-6H2,1-3H3
- InChIKey
- NOJFJZZMRDSOLM-UHFFFAOYSA-N
- CAS DataBase Reference
- 1474 · 1474-78-8(CAS DataBase Reference)
- FDA UNII
- 6 M928ID · TUX6M928ID
- NIST Chemistry Reference
- Phosphinecarboxylic acid, diethoxy-, ethyl ester, oxide(1474-78-8)
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
This chemical does not meet GHS hazard criteria for 22.2% (2 of 9) of reports.
Warning
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
REACH registered substance: Ethyl diethoxyphosphinylformate (EC: 216-016-8)
Phosphinecarboxylic acid, diethoxy-, ethyl ester, oxide: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (33.3%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2931 39 90
- risk_code
- 36/37/38-43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25-36/37-26-37-24
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphinecarboxylic acid, 1,1-diethoxy-, ethyl ester, 1-oxide: INACTIVE
Applications
UsesDiethyl (Ethoxycarbonyl)phosphonate is an impurity in the synthesis of Foscarnet (F727400), an inhibitor of viral DNA polymerase and reverse transcriptase. Foscarnet is used as an antiviral.
General Descriptionfor synthesis
Upstream & downstream products
Downstream products
Suppliers
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Related reactions
3 records
Compound notes
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