O,O-Diethyl phosphorochloridothioate
Properties
- Molecular formula
- C4H10ClO2PS
- Molar mass
- 188.61 g/mol
- Exact mass
- 187.9828 Da
- Density
- 1.196 g/mL (at 25 °C)
- Melting point
- −75 °C
- Boiling point
- 110 °C
- Flash point
- 92 °C (closed cup)
- logP
- 2.52Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 4
Hazards
Danger
- H301 Toxic if swallowed51.3% of notifiers
- H302 Harmful if swallowed48.7% of notifiers
- H311 Toxic in contact with skin89.5% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage39.5% of notifiers
- H330 Fatal if inhaled47.4% of notifiers
- H331 Toxic if inhaled52.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects36.8% of notifiers
Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
2524-04-1SMILES
CCOP(=S)(Cl)OCCInChIKey
KMJJJTCKNZYTEY-UHFFFAOYSA-NInChI
InChI=1S/C4H10ClO2PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
26 names · show all
- Phosphorochloridothioic acid, O,O-diethyl ester
- Ethyl phosphorochloridothioate ((EtO)2ClPS)
- Diethyl chlorothiophosphate
- O,O-Diethyl phosphorochlorothioate
- Diethyl phosphorochloridothioate
- Diethyl phosphorochlorothioate
- Diethyl thiophosphoryl chloride
- O,O-Diethyl chlorothiophosphate
- O,O-Diethyl chlorothiophosphonate
- O,O-Diethyl phosphorothionochloridate
- O,O-Diethyl thiophosphoryl chloride
- Diethyl phosphorothiochloridate
- O,O-Diethyl chlorothionophosphate
- O,O-Diethyl thionophosphoric chloride
- O,O-Diethyl thionophosphoryl chloride
- O,O-Diethyl thiophosphorochloridate
- O,O-Diethyl chloridothionophosphate
- O,O-Diethyl phosphorothiochloridate
- O,O-Diethyl thionophosphorochloridate
- O,O-Diethyl chloridophosphorothioate
- Diethoxythiophosphoryl chloride
- Diethyl phosphorothionochloridate
- O,O-Diethyl thiophosphoric acid chloride
- (Chlorodiethoxy)phosphine sulfide
- O,O-Diethyl chlorophosphorothioate
- NSC 43776
Work with O,O-Diethyl phosphorochloridothioate
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Sulfotep3689-24-546 % similar
Ethyl phosphorodichloridate1498-51-744 % similar
Diethyl dithiophosphoric acid298-06-644 % similar
Diethyl phosphorochloridate814-49-344 % similar
Dimethyl chlorothiophosphate2524-03-043 % similar
Chlormephos24934-91-641 % similar
Ethion563-12-241 % similar
Ammonium diethyl dithiophosphate1068-22-039 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.