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3513-92-6

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Basic Information
CAS No.: 3513-92-6
Name: O,O-Diethyl O-(tetrahydrofuran-2-ylmethyl) =phosphorothioate
Molecular Structure:
Molecular Structure of 3513-92-6 (O,O-Diethyl O-(tetrahydrofuran-2-ylmethyl) =phosphorothioate)
Formula: C9H19O4PS
Molecular Weight: 254.31
Synonyms: tetrahydrofurfuryl diethyl thiophosphate;ENT 23,444;Phosphorothioic acid,O,O-diethyl O-tetrahydrofurfuryl ester;
Density: 1.166g/cm3
Boiling Point: 295.8°Cat760mmHg
Flash Point: 132.7°C
Hazard Symbols: A poison by ingestion.
Safety: A poison by ingestion. When heated to decomposition it emits toxic vapors of SOx and POx.
PSA: 78.82000
LogP: 3.13010
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Chemistry

Empirical Formula of Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester (CAS NO.3513-92-6): C9H19O4PS
Molecular Weight: 254.2835 
Index of Refraction: 1.486
Density: 1.166 g/cm3
Flash Point: 132.7 °C
Enthalpy of Vaporization: 51.41 kJ/mol
Boiling Point: 295.8 °C at 760 mmHg
Vapour Pressure: 0.00263 mmHg at 25 °C
Structure of Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester (CAS NO.3513-92-6):
                               
IUPAC Name: Diethoxy-(oxolan-2-ylmethoxy)-sulfanylidene-λ5-phosphane
Canonical SMILES: CCOP(=S)(OCC)OCC1CCCO1
InChI: InChI=1S/C9H19O4PS/c1-3-11-14(15,12-4-2)13-8-9-6-5-7-10-9/h9H,3-8H2,1-2H3
InChIKey: KZAOCXFBXMOEKU-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LDLo:250 mg/kg

     ARSIM*    Agricultural Research Service, USDA Information Memorandum. 20 (1966),3.

Safety Profile

A poison by ingestion. When heated to decomposition Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester (CAS NO.3513-92-6) emits toxic vapors of SOx and POx.

Specification

 Phosphorothioic acid, O,O-diethyl O-tetrahydrofurfuryl ester , its cas register number is 3513-92-6. It also can be called Phosphorothioic acid, O,O-diethyl O-((tetrahydro-2-furanyl)methyl) ester (9CI) ; ENT 23,444 ; and Bayer 19564 .