Phosphonic acid, ethyl-, monoethyl ester
Basic information
- CAS
53396-55-7- Standard SMILES
CCOP(=O)(O)CC- InChIKey
YJCXKNNURGCXFQ-UHFFFAOYSA-N- Molecular formula
- C4H11O3P
- Average molar mass
- 138.1 g/mol
- Monoisotopic mass
- 138.04458121
Names & identifiers
- Preferred name
- Phosphonic acid, ethyl-, monoethyl ester
- IUPAC
- ethoxy(ethyl)phosphinic acid
- English name
- Ethyl hydrogen ethylphosphonate
- Molecular formula
- C4H11O3P
- Molecular weight
- 138.1
Names & synonyms
Phosphonic acid, ethyl-, monoethyl ester7305-61-5DTXSID50223328RefChem:1095176DTXCID50145819ETHYL HYDROGEN ETHYLPHOSPHONATE53396-55-7Ethylphosphonic acid ethyl esterO-Ethyl ethanephosphonic acidO-ETHYL ETHYLPHOSPHONATEO-Ethyl hydrogen ethylphosphonatePhosphonic acid, ethyl-, ethyl ester
Show more names
o-ethylethylphosphonateo-ethylethanephosphonicacidethylphosphonicacidethylestero-ethylhydrogenethylphosphonateethyl-phosphonicacimonoethylesterPhosphonic acid, P-ethyl-, monoethyl ester
BRN 1749049O-ethylethylphosphonic acid4-04-00-03524 (Beilstein Handbook Reference)SCHEMBL1661755SCHEMBL6627752SCHEMBL6628021DTXSID60968051YJCXKNNURGCXFQ-UHFFFAOYSA-N
Database identifiers
- CAS
53396-55-7、7305-61-5- PubChem CID
- 23731
- DTXSID
DTXSID50223328- Nikkaji
- J761.499C
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 138 °C · 138 °C(Press: 2 Torr)
- Density
- 1.1353 g/cm3 · 1.1353 g/cm3
- pka
- 2.98 · 2.98±0.10(Predicted)
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Related reactions
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Compound notes
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