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78-52-4

Basic Information
CAS No.: 78-52-4
Name: diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-phosphorane
Molecular Structure:
Molecular Structure of 78-52-4 (diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-phosphorane)
Formula: C8H19 O2 P S3
Molecular Weight: 274.409
Synonyms: Phosphorodithioicacid, O,O-diethyl S-[(isopropylthio)methyl] ester (6CI,7CI,8CI); AC 12008;American Cyanamid 12008; O,O-Diethyl S-(isopropylthiomethyl) phosphorodithioate
Density: 1.174g/cm3
Boiling Point: 307.8°C at 760 mmHg
Flash Point: 140°C
Safety: Poison by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of POx and SOx. See also MERCAPTANS.
PSA: 110.96000
LogP: 4.76680
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Chemistry

Empirical Formula of Experimental insecticide 12008 (CAS NO.78-52-4): C8H19O2PS3
Molecular Weight: 274.404 
Index of Refraction: 1.534
Density: 1.174 g/cm3
Flash Point: 140 °C
Enthalpy of Vaporization: 52.65 kJ/mol
Boiling Point: 307.8 °C at 760 mmHg
Vapour Pressure: 0.00129 mmHg at 25 °C
Structure of Experimental insecticide 12008 (CAS NO.78-52-4):
                         
IUPAC Name: Diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-λ5-phosphane
Canonical SMILES: CCOP(=S)(OCC)SCSC(C)C
InChI: InChI=1S/C8H19O2PS3/c1-5-9-11(12,10-6-2)14-7-13-8(3)4/h8H,5-7H2,1-4H3
InChIKey: QVSDWRRZCKGXCO-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1100 µg/kg

    ARSIM*    Agricultural Research Service, USDA Information Memorandum. 20 (1966),1.
2.    

scu-rat LD50:2 mg/kg

    JEENAI    Journal of Economic Entomology. 50 (1957),356.

Safety Profile

Poison by ingestion and subcutaneous routes. When heated to decomposition Experimental insecticide 12008 (CAS NO.78-52-4) emits very toxic fumes of POx and SOx. See also MERCAPTANS.

Specification

 Experimental insecticide 12008 , its cas register number is 78-52-4. It also can be called O,O-Diethyl S-(isopropylmercaptomethyl) phosphorodithioate ; O,O-Diethyl-S-2-isopropylmercaptomethyl dithiophosphate ; and Phosphorodithioic acid, O,O-diethyl S-(((1-methylethyl)thio)methyl) ester .