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16088-56-5

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Basic Information
CAS No.: 16088-56-5
Name: [(2S,3R)-1,4-Dioxane-2,3-diyl]bis(thio)bis(thiophosphonic acid O,O-diethyl) ester
Molecular Structure:
Molecular Structure of 16088-56-5 ([(2S,3R)-1,4-Dioxane-2,3-diyl]bis(thio)bis(thiophosphonic acid O,O-diethyl) ester)
Formula: C12H26 O6 P2 S4
Molecular Weight: 456.546
Synonyms: Phosphorodithioicacid, S,S'-p-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, cis- (8CI);p-Dioxane-2,3-dithiol, S,S-diester with O,O-diethyl phosphorodithioate, cis-;cis-Dioxathion; cis-Dioxation; cis-p-Dioxane-2,3-dithiol S,S-bis(O,O-diethylphosphorodithioate)
Density: 1.33g/cm3
Boiling Point: 240°C
Flash Point: 258.7oC
Safety: Poison by subcutaneous route. When heated to decomposition it emits very toxic fumes of POx and SOx. See also ESTERS.
PSA: 64.52000
LogP: 7.53520
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Chemistry

IUPAC Name: [(2S,3R)-3-Diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl]sulfanyl-diethoxy-sulfanylidene-λ5-phosphane 
Canonical SMILES: CCOP(=S)(OCC)SC1C(OCCO1)SP(=S)(OCC)OCC
Isomeric SMILES: CCOP(=S)(OCC)S[C@@H]1[C@@H](OCCO1)SP(=S)(OCC)OCC
InChI: InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3/t11-,12+
InChIKey: VBKKVDGJXVOLNE-TXEJJXNPSA-N
Empirical Formula: C12H26O6P2S4
Molecular Weight: 456.5388 g/mol 
Density: 1.33 g/cm3
Flash Point: 258.7 °C
Index of Refraction: 1.553
Surface Tension: 54.5 dyne/cm
Enthalpy of Vaporization: 74.43 kJ/mol
Boiling Point: 504.2 °C at 760 mmHg
Vapour Pressure: 8.54E-10 mmHg at 25 °C
Following is the structure of cis-2,3-p-Dioxanedithiol-S,S-bis(O,O-diethylphosphorodithioate) (CAS NO.16088-56-5):
                     

Toxicity Data With Reference

1.    

scu-rat LD50:66 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 5 (1963),605.

Safety Profile

Poison by subcutaneous route. When heated to decomposition, cis-2,3-p-Dioxanedithiol-S,S-bis(O,O-diethylphosphorodithioate) (CAS NO.16088-56-5) emits very toxic fumes of POx and SOx. See also ESTERS.

Specification

 cis-2,3-p-Dioxanedithiol-S,S-bis(O,O-diethylphosphorodithioate) , its cas register number is 16088-56-5. It also can be called Phosphorodithioic acid, S,S'-p-dioxane-2,3-diyl O,O,O',O'-tetraethyl ester, cis- ; cis-2,3-p-Dioxanedithiol-S,S-bis(O,O-diethylphosphorodithioate) ; cis-Dioxathion ; and cis-Dioxation . Its classification code are Agricultural Chemical and Insecticide.