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3581-11-1

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Basic Information
CAS No.: 3581-11-1
Name: O-(4-cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate
Molecular Structure:
Molecular Structure of 3581-11-1 (O-(4-cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate)
Formula: C10H12NO4PS
Molecular Weight: 273.26
Density: 1.31g/cm3
Boiling Point: 357.8°Cat760mmHg
Flash Point: 170.2°C
Safety: Poison by subcutaneous route. Moderately toxic by ingestion. When heated to decomposition it emits very toxic fumes of NOx, POx, CN−, and SOx. See also ESTERS and NITRILES.
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  • 4-dimethoxyphosphinothioyloxy-3-methoxybenzonitrile

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    4-dimethoxyphosphinothioyloxy-3-methoxybenzonitrile

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Chemistry

IUPAC Name: 4-Dimethoxyphosphinothioyloxy-3-methoxybenzonitrile
Synonyms of O,O-Dimethyl phosphorothioate, O-ester with 4-hydroxy-m-anisonitrile (CAS NO.3581-11-1): O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate ; Phosphorothioic acid, O,O-dimethyl O-(4-cyano-2-methoxyphenyl) ester ; Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-dimethyl ester ; Phosphorothioic acid, O,O-dimethyl ester, O-ester with vanillonitrile (8CI)
InChI: InChI=1/C10H12NO4PS/c1-12-10-6-8(7-11)4-5-9(10)15-16(17,13-2)14-3/h4-6H,1-3H3
InChIKey: JFEUEPKNHJHJDY-UHFFFAOYAU
Std. InChI: InChI=1S/C10H12NO4PS/c1-12-10-6-8(7-11)4-5-9(10)15-16(17,13-2)14-3/h4-6H,1-3H3
Std. InChIKey: JFEUEPKNHJHJDY-UHFFFAOYSA-N
CAS NO: 3581-11-1
Molecular Formula: C10H12NO4PS
Molecular Weight: 273.2453
Molecular Structure :
H bond acceptors: 5
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 102.61 Å2
Index of Refraction: 1.546
Molar Refractivity: 65.9 cm3
Molar Volume: 207.8 cm3
Surface Tension: 54.1 dyne/cm
Density: 1.31 g/cm3
Flash Point: 170.2 °C
Enthalpy of Vaporization: 60.32 kJ/mol
Boiling Point: 357.8 °C at 760 mmHg
Vapour Pressure: 2.66E-05 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo subcutaneous 100mg/kg (100mg/kg)   Journal of Economic Entomology. Vol. 61, Pg. 1261, 1968.
mouse LD50 oral 4200mg/kg (4200mg/kg)   Takeda Kenkyusho Nempo. Annual Report of the Takeda Research Laboratories. Vol. 24, Pg. 221, 1965.
rat LD50 oral 2710mg/kg (2710mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 21, 1966.

Consensus Reports

Cyanide and its compounds are on the Community Right-To-Know List.

Safety Profile

Poison by subcutaneous route. Moderately toxic by ingestion. When O,O-Dimethyl phosphorothioate, O-ester with 4-hydroxy-m-anisonitrile (CAS NO.3581-11-1) is heated to decomposition, it emits very toxic fumes of NOx, POx, CN−, and SOx. See also ESTERS and NITRILES.