O-(2,4-Dichlorophenyl) O-ethyl ethylphosphonothioate
Basic information
- CAS
1593-27-7- Standard SMILES
CCOP(=S)(CC)Oc1ccc(Cl)cc1Cl- InChIKey
CFMXHMRTOXUWQI-UHFFFAOYSA-N- Molecular formula
- C10H13Cl2O2PS
- Average molar mass
- 299.15 g/mol
- Monoisotopic mass
- 297.9750932
Names & identifiers
- Preferred name
- O-(2,4-Dichlorophenyl) O-ethyl ethylphosphonothioate
- IUPAC
- (2,4-dichlorophenoxy)-ethoxy-ethyl-sulfanylidene-λ5-phosphane
- English name
- Ethylthiophosphonic acid O-ethyl O-(2,4-dichlorophenyl) ester
- Molecular formula
- C10H13Cl2O2PS
- Molecular weight
- 299.15
Names & synonyms
1593-27-7O-(2,4-Dichlorophenyl) O-ethyl ethylphosphonothioateDTXSID30936085RefChem:1093539DTXCID101364698Ethylthiophosphonic acid O-ethyl O-(2,4-dichlorophenyl) esterStauffer N-3054N 3054ENT 25,798AI3-25798(2,4-Dichlorophenoxy)-ethoxy-ethyl-sulfanylidene-lambda5-phosphanePhosphonothioic acid, ethyl-, O-(2,4-dichlorophenyl) O-ethyl ester
Show more names
N-3054ENT-25498Phosphonothioic acid, ethyl-, O-(2,4-dichlorophenyl) O-ethyl ester (7CI,8CI,9CI)
Database identifiers
- CAS
1593-27-7- PubChem CID
- 74131
- DTXSID
DTXSID30936085- Nikkaji
- J7.522A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 343.2 · 343.2±52.0 °C(Predicted)
- Density
- 1.328 · 1.328±0.06 g/cm3(Predicted)
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Compound notes
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