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3344-14-7

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Basic Information
CAS No.: 3344-14-7
Name: S-methylfenitrothion
Molecular Structure:
Molecular Structure of 3344-14-7 (S-methylfenitrothion)
Formula: C9H12 N O5 P S
Molecular Weight: 277.238
Synonyms: Phosphorothioicacid, O,S-dimethyl O-(4-nitro-m-tolyl) ester (7CI,8CI); 8062HC; Isosumithion;S-Methyl fenitrothion; Sumithion S-isomer
Density: 1.368g/cm3
Boiling Point: 383.8°Cat760mmHg
Flash Point: 185.9°C
Safety: Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits very toxic fumes of SOx, POx, and NOx.
PSA: 116.46000
LogP: 3.92270
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Chemistry

Empirical Formula of S-Methylfenitrothion (CAS NO.3344-14-7): C9H12NO5PS
Molecular Weight: 277.234 g/mol
Index of Refraction: 1.56
Density: 1.368 g/cm3
Flash Point: 185.9 °C
Enthalpy of Vaporization: 60.76 kJ/mol
Boiling Point: 383.8 °C at 760 mmHg
Vapour Pressure: 9.46E-06 mmHg at 25 °C
Structure of S-Methylfenitrothion (CAS NO.3344-14-7):
                            
IUPAC Name: 4-[Methoxy(methylsulfanyl)phosphoryl]oxy-2-methyl-1-nitrobenzene
Canonical SMILES: CC1=C(C=CC(=C1)OP(=O)(OC)SC)[N+](=O)[O-]
InChI: InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(13,14-2)17-3/h4-6H,1-3H3
InChIKey: OVDMPFAESMMFPC-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

dlt-mus-orl 1 mg/kg

     PCBPBS    Pesticide Biochemistry and Physiology. 6 (1976),280.
2.    

orl-rat LD50:315 mg/kg

     PCBPBS    Pesticide Biochemistry and Physiology. 6 (1976),280.
3.    

orl-mus LD50:320 mg/kg

     PCBPBS    Pesticide Biochemistry and Physiology. 6 (1976),280.
4.    

ipr-mus LD50:54 mg/kg

     NNGADV    Nippon Noyaku Gakkaishi. 3 (1978),35.

Safety Profile

Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition S-Methylfenitrothion (CAS NO.3344-14-7) emits very toxic fumes of SOx, POx, and NOx.

Specification

 S-Methylfenitrothion , its cas register number is 3344-14-7. It also can be called Phosphorothioic acid, O,S-dimethyl O-(3-methyl-4-nitrophenyl) ester (9CI) ; Metathion, S-methyl isomer ; and Thiophosphate de O,S-dimethyl et de O-(3-methyl-4-nitrophenyle) .