Ethyl (diphenylphosphoryl)acetate
Basic information
- CAS
6361-05-3- Standard SMILES
CCOC(=O)CP(=O)(c1ccccc1)c1ccccc1- InChIKey
WYOVIIWQEUXLET-UHFFFAOYSA-N- Molecular formula
- C16H17O3P
- Average molar mass
- 288.28 g/mol
- Monoisotopic mass
- 288.0915314
Names & identifiers
- Preferred name
- Ethyl (diphenylphosphoryl)acetate
- IUPAC
- ethyl 2-diphenylphosphorylacetate
- English name
- (Ethoxycarbonylmethyl)diphenylphosphine
- Molecular formula
- C16H17O3P
- Molecular weight
- 288.28
Names & synonyms
6361-05-3ethyl (diphenylphosphoryl)acetateDTXSID60355341RefChem:341828DTXCID30306401ethyl 2-diphenylphosphorylacetateEthyl 2-(diphenylphosphoryl)acetateAcetic acid, (diphenylphosphinyl)-, ethyl esterMFCD00427206(Ethoxycarbonylmethyl)diphenylphosphine oxideCBMicro_012246ethyl diphenylphosphorylacetate
Show more names
AURORA KA-1132ETHYL DIPHENYLPHOSPHINOACETATE(Ethoxycarbonylmethyl)diphenylphosphineAcetic acid, 2-(diphenylphosphinyl)-, ethyl ester(Ethoxycarbonylmethyl)diphenylphosphine oxide, 97 %
MLS000532664CHEMBL1321881C16H17O3PHMS2175A10SMSF0003436AKOS004090667CB15465SMR000137603
Database identifiers
- CAS
6361-05-3- PubChem CID
- 796941
- DTXSID
DTXSID60355341- ChEMBL
CHEMBL1321881- Nikkaji
- J1.293.622B
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Melting point
- 63 · 63-65 °C
- Boiling point
- 391.6 · 391.6±25.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
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Related reactions
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Compound notes
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