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2496-92-6

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Basic Information
CAS No.: 2496-92-6
Name: disulfoton-oxon-sulfoxide
Article Data: 7
Molecular Structure:
Molecular Structure of 2496-92-6 (disulfoton-oxon-sulfoxide)
Formula: C8H19 O4 P S2
Molecular Weight: 274.342
Synonyms: Ethanethiol,2-(ethylsulfinyl)-, S-ester with O,O-diethyl phosphorothioate (8CI); Demeton-Ssulfoxide; Isosystox sulfoxide; O,O-Diethyl S-[2-(ethylsulfinyl)ethyl]phosphorothioate; Systox sulfoxide
Density: 1.241g/cm3
Boiling Point: 401.4°Cat760mmHg
Flash Point: 196.6°C
Safety: A poison by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of POx and SOx.
PSA: 106.92000
LogP: 3.53500
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Chemistry

Empirical Formula of PO systox sulfoxide (CAS NO.2496-92-6): C8H19O4PS2
Molecular Weight: 274.3378 g/mol
Index of Refraction: 1.512
Density: 1.241 g/cm3
Flash Point: 196.6 °C
Enthalpy of Vaporization: 62.7 kJ/mol
Boiling Point: 401.4 °C at 760 mmHg
Vapour Pressure: 2.74E-06 mmHg at 25 °C
Structure of PO systox sulfoxide (CAS NO.2496-92-6):
                   
IUPAC Name: 1-[Ethoxy(2-ethylsulfinylethylsulfanyl)phosphoryl]oxyethane
Canonical SMILES: CCOP(=O)(OCC)SCCS(=O)CC
InChI: InChI=1S/C8H19O4PS2/c1-4-11-13(9,12-5-2)14-7-8-15(10)6-3/h4-8H2,1-3H3
InChIKey: RWRHZQVSYSDUSM-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:2000 µg/kg

     AEPPAE    Naunyn-Schmiedebergs Archiv fuer Experimentelle Pathologie und Pharmakologie. 234 (1958),352.
2.    

ipr-rat LD50:1500 µg/kg

     AMIHAB    AMA Archives of Industrial Health. 13 (1956),606.
3.    

ipr-mus LD50:5600 µg/kg

     PAREAQ    Pharmacological Reviews. 11 (1959),636.
4.    

ipr-gpg LD50:5000 µg/kg

     AMIHAB    AMA Archives of Industrial Health. 13 (1956),606.

Safety Profile

A poison by ingestion and intraperitoneal routes. When heated to decomposition PO systox sulfoxide (CAS NO.2496-92-6) emits very toxic fumes of POx and SOx.

Specification

 PO systox sulfoxide , its cas register number is 2496-92-6. It also can be called Isosystox sulfoxide ; Diethyl S-(2-eththionylethyl) thiophosphate ; and Phosphorothioic acid, O,O diethyl S-(2-(ethylsulfinyl)ethyl) ester .