Basic information
- CAS
2524-04-1- Standard SMILES
CCOP(=S)(Cl)OCC- InChIKey
KMJJJTCKNZYTEY-UHFFFAOYSA-N- Molecular formula
- C4H10ClO2PS
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 187.98276487
Overview
structure given in first source
Names & identifiers
- Preferred name
- O,O-diethyl phosphorochloridothioate
- IUPAC
- chloro-diethoxy-sulfanylidene-λ5-phosphane
- English name
- Diethyl chlorothiophosphate
- Molecular formula
- C4H10ClO2PS
- Molecular weight
- 188.61
Names & synonyms
2524-04-1O,O-Diethyl chlorothiophosphateEthyl PCTDiethyl phosphorochloridothionateDiethyl phosphorochlorothioateDiethylchlorthiofosfatDiethyl phosphorochloridothioateO,O-Diethyl phosphorochloridothioatePhosphorochloridothioic acid, O,O-diethyl esterDiethyl phosphorothiochloridateDiethyl thiophosphoric chlorideDiethyl phosphorothionochloridate
Show more names
DECTPDIETHYL THIOPHOSPHORYLCHLORIDEDEPCTU.N. 2751AlkylchlorideEthyl PCT, refinedETHYL INTERMEDIARY EP-1
O,O-Diethyl chloridothionophosphateO,O-Diethyl thiophosphoryl chlorideDiethyl thiophosphoryl chlorideDiethylchlorothiophosphateO,O-Diethyl thionophosphoric chlorideO,O-Diethyl chlorothionophosphateDiethylthiophosphoric acid chlorideO,O-Diethyl phosphorochlorothioate
Database identifiers
- CAS
2524-04-1
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 109
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Density
1.196 AT 25 °C/25 °C
Relative density (water = 1): 1.19
Color/FormCOLORLESS TO LIGHT AMBER LIQUID
Solubility
INSOL IN WATER; SOL IN MOST ORG SOLVENTS
Solubility in water: reaction
Flash Point92 °C c.c.
Boiling Point
49 °C BELOW 1 MM HG; FP: BELOW -75 °C
>110 °C
Vapor PressureVapor pressure, Pa at 50 °C: 190
Refractive IndexINDEX OF REFRACTION: 1.4705 AT 25 °C/D
Physical DescriptionCOLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.
Stability/Shelf Life
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (51.3%): Toxic if swallowed [Danger Acute toxicity, oral]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 76 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H227: Combustible liquid [Warning Flammable liquids]
Hazard information
Regulatory Information
Chemical: Phosphorochloridothioic acid, O,O-diethyl ester
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
Status: Cease Manufacture Update: 22-11-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/11878
Fire HazardsCombustible. Gives off irritating or toxic fumes (or gases) in a fire.
UN ClassificationUN Hazard Class: 8; UN Pack Group: II
Chemical DangersDecomposes on contact with water. This produces hydrogen chloride. Upon heating, toxic fumes are formed. Decomposes on heating. This produces toxic fumes.
Packaging and LabellingDo not transport with food and feedstuffs.
Hazard Classes and Categories
Acute Tox. 3 (51.3%)
Flammable liquids - Category 4
Safety & protection
Chemistry & industry
Uses & manufacturing
Uses
INTERMEDIATE FOR PESTICIDES; OIL & GASOLINE ADDITIVES; FLAME RETARDANTS; FLOTATION AGENTS
CHEM INT FOR PARATHION
U.S. Exports
(1972) No Data
(1975) No Data
U.S. Imports
(1972) No Data
(1975) No Data
U.S. Production
(1972) 9.1X10+8 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Consumption Patterns100% AS A CHEM INT FOR THE INSECTICIDE PARATHION (1975)
Methods of ManufacturingREACTION OF PHOSPHORUS PENTASULFIDE & ETHYL ALCOHOL FOLLOWED BY REACTION OF THE RESULTING DIETHYL PHOSPHORODITHIOATE WITH CHLORINE
General Manufacturing InformationPhosphorochloridothioic acid, O,O-diethyl ester: ACTIVE
Applications
UsesDiethyl Chlorothiophosphate is used in the preparation of various organophosporus insecticide including Flupyrazofos (F598620) and Chlorpyrifos (C425300).
General DescriptionA colorless to light amber liquid with a disagreeable odor. Density 1.196 g / cm3. Boiling point 120°F.Flash point below 100°F. Insoluble in water but soluble in most organic solvents. May be highly toxic and irritating to the eyes and lungs. Used as an intermediate for pesticides, as an oil and gasoline additive, and as a flame retardant.
Upstream & downstream products
Related reactions
59 records
Compound notes
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