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333-40-4

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Basic Information
CAS No.: 333-40-4
Name: S-(4,6-DIMETHYL-2-PYRIMIDINYL)O,O-DIETHYLPHOSPHORODITHIO.
Molecular Structure:
Molecular Structure of 333-40-4 (S-(4,6-DIMETHYL-2-PYRIMIDINYL)O,O-DIETHYLPHOSPHORODITHIO.)
Formula: C10H17 N2 O2 P S2
Molecular Weight: 292.363
Synonyms: 2-Pyrimidinethiol,4,6-dimethyl-, S-ester with O,O-diethyl phosphorodithioate; ENT 25737; R 3413
Density: 1.24g/cm3
Boiling Point: 390.6°Cat760mmHg
Flash Point: 190°C
Safety: Poison by ingestion. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx.
PSA: 111.44000
LogP: 4.13360
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Chemistry

IUPAC Name: (4,6-Dimethylpyrimidin-2-yl)sulfanyl-diethoxy-sulfanylidene-λ5-phosphane
Synonyms of  S-(4,6-Dimethyl-2-pyrimidinyl)O,O-diethyl phosphorodithioate (CAS NO.333-40-4): O,O-Diethyl S-(4,6-dimethyl-2-pyrimidyl) dithiophosphate ; Phosphorodithioic acid, S-(4,6-dimethyl-2-pyrimidinyl) O,O-diethyl ester
InChI: InChI=1/C10H17N2O2PS2/c1-5-13-15(16,14-6-2)17-10-11-8(3)7-9(4)12-10/h7H,5-6H2,1-4H3
CAS NO: 333-40-4
Molecular Formula: C10H17N2O2PS2
Molecular Weight : 292.3579
Molecular Structure:
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 6
Polar Surface Area: 111.44 Å2
Index of Refraction: 1.556
Molar Refractivity: 75.34 cm3
Molar Volume: 234 cm3
Surface Tension: 54.9 dyne/cm
Density: 1.24 g/cm3
Flash Point: 190 °C
Enthalpy of Vaporization: 61.51 kJ/mol
Boiling Point: 390.6 °C at 760 mmHg
Vapour Pressure: 5.9E-06 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 41400ug/kg (41.4mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 7, Pg. 606, 1965.
rat LD50 oral 59mg/kg (59mg/kg)   Agricultural Research Service, USDA Information Memorandum. Vol. 20, Pg. 23, 1966.

Safety Profile

Poison by ingestion. When S-(4,6-Dimethyl-2-pyrimidinyl)O,O-diethyl phosphorodithioate (CAS NO.333-40-4) is heated to decomposition, it emits very toxic fumes of NOx, POx, and SOx.