Basic information
- CAS
6012-87-9- Standard SMILES
CCOP(=S)(OCC)Oc1ccc([N+](=O)[O-])cc1Cl- InChIKey
DHZFLGHMWUHWQO-UHFFFAOYSA-N- Molecular formula
- C10H13ClNO5PS
- Average molar mass
- 325.71 g/mol
- Monoisotopic mass
- 324.9940584
Names & identifiers
- Preferred name
- Ethyl dicapthon
- IUPAC
- (2-chloro-4-nitrophenoxy)-diethoxy-sulfanylidene-λ5-phosphane
- English name
- Thiophosphoric acid O,O-diethyl O-(2-chloro-4-nitrophenyl) ester
- Molecular formula
- C10H13ClNO5PS
- Molecular weight
- 325.71
Names & synonyms
Ethyl dicapthon6012-87-9O-(2-Chloro-4-nitrophenyl) O,O-diethyl phosphorothioatePhosphorothioic acid, O-(2-chloro-4-nitrophenyl) O,O-diethyl esterThiophosphoric acid O,O-diethyl O-(2-chloro-4-nitrophenyl) esterEthylisochlorthionCaswell No. 335A(2-chloro-4-nitrophenoxy)-diethoxy-sulfanylidene-lambda5-phosphaneBRN 3429349AI3-10615O,O-Diethyl O-(2-chloro-4-nitrophenyl) phosphorothioate4-06-00-01356 (Beilstein Handbook Reference)
Show more names
o,o-Diethyl o-(3-chloro-4-nitrophenyl) phosphorothioate
orb1702288SCHEMBL10838335DTXSID50208872AKOS040746815T25397
Database identifiers
- CAS
6012-87-9- PubChem CID
- 201452
- DTXSID
DTXSID50208872- Nikkaji
- J8.333J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 51 · 51-52 °C(Solvent: Ethanol)
- Boiling point
- 383.321 · 383.321±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.407 · 1.407±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Applications
DescriptionEthyl dicapthon is an insecticide.
Suppliers2 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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