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3820-53-9

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Basic Information
CAS No.: 3820-53-9
Name: Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester
Article Data: 4
Molecular Structure:
Molecular Structure of 3820-53-9 (Thiophosphoric acid O,O-dimethyl S-(4-nitrophenyl) ester)
Formula: C8H10NO5PS
Molecular Weight: 263.211
Synonyms: Dimethyl paranitrophenyl thionophosphate;Methyl parathion S-isomer;
Melting Point: 55.5°C
Safety: Poison by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx.
PSA: 116.46000
LogP: 3.61100
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Chemistry

Empirical Formula of Methyl parathion S-isomer (CAS NO.3820-53-9): C8H10NO5PS
Molecular Weight: 263.2075 
Index of Refraction: 1.556
Density: 1.4 g/cm3
Flash Point: 178.3 °C
Enthalpy of Vaporization: 59.39 kJ/mol
Boiling Point: 371.1 °C at 760 mmHg
Vapour Pressure: 2.25E-05 mmHg at 25 °C
Structure of Methyl parathion S-isomer (CAS NO.3820-53-9):
                        
IUPAC Name: 1-Dimethoxyphosphorylsulfanyl-4-nitrobenzene
Canonical SMILES: COP(=O)(OC)SC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C8H10NO5PS/c1-13-15(12,14-2)16-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
InChIKey: DHPZHUPSZPYWMB-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:43 mg/kg

     28ZPAK    Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,208.
2.    

scu-mus LD50:8 mg/kg

     AMIHAB    AMA Archives of Industrial Health. 11 (1955),487.

Safety Profile

Poison by ingestion and subcutaneous routes. When heated to decomposition Methyl parathion S-isomer (CAS NO.3820-53-9) emits very toxic fumes of NOx, POx, and SOx.

Specification

 Methyl parathion S-isomer , its cas register number is 3820-53-9. It also can be called Phosphorothioic acid, O,O-dimethyl S-(p-nitrophenyl) ester ; O,O-Dimethyl-S-p-nitrofenyl ester kyseliny thiofosforecne ; Dimethyl paranitrophenyl thionophosphate ; and O,O-Dimethyl S-(4-nitrophenyl)thiophosphate .