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5826-91-5

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Basic Information
CAS No.: 5826-91-5
Name: Thiophosphoric acid O,O-diethyl O-(2-propyl-6-methylpyrimidin-4-yl) ester
Molecular Structure:
Molecular Structure of 5826-91-5 (Thiophosphoric acid O,O-diethyl O-(2-propyl-6-methylpyrimidin-4-yl) ester)
Formula: C12H21N2O3PS
Molecular Weight: 304.38
Synonyms: Pirazinon;Diethyl propylmethylpyrimidyl thiophosphate;
Density: 1.171g/cm3
Boiling Point: 363.2°Cat760mmHg
Flash Point: 173.5°C
Safety: Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx.
PSA: 95.37000
LogP: 4.06440
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  • DIETHYL PROPYLMETHYLPYRIMIDYL THIOPHOSPHATE

  • Casno:

    5826-91-5

    DIETHYL PROPYLMETHYLPYRIMIDYL THIOPHOSPHATE

    Min.Order: 1 Gram

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    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, special chemicals and OLED intermediates and other fine chemicals. W

    Shandong Mopai Biotechnology Co., LTD is a leading manufacturer and supplier of chemicals in China. We develop produce and distribute high quality pharmaceuticals, intermediates, s

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  • DIETHYL PROPYLMETHYLPYRIMIDYL THIOPHOSPHATE

  • Casno:

    5826-91-5

    DIETHYL PROPYLMETHYLPYRIMIDYL THIOPHOSPHATE

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for he synthesis of various pesticides, medicines, surfactants, polymer monomers, Ond Ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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Chemistry

IUPAC Name: diethoxy-(2-methyl-6-propylpyrimidin-4-yl)oxy-sulfanylidene-λ5-phosphane 
Empirical Formula: C12H21N2O3PS
Molecular Weight: 304.3455g/mol
Structure of  Diethyl propylmethylpyrimidyl thiophosphate (CAS NO.5826-91-5):

Index of Refraction: 1.525
Molar Refractivity: 79.64 cm3
Molar Volume: 259.7 cm3
Polarizability: 31.57×10-24cm3
Surface Tension: 46.5 dyne/cm
Density: 1.171 g/cm3
Flash Point: 173.5 °C
Enthalpy of Vaporization: 58.53 kJ/mol
Boiling Point: 363.2 °C at 760 mmHg
Vapour Pressure: 3.83E-05 mmHg at 25°C 
Classification Code: Agricultural Chemical, Insecticide, Out-dated pesticide 
Canonical SMILES: CCCC1=CC(=NC(=N1)C)OP(=S)(OCC)OCC
InChI: InChI=1S/C12H21N2O3PS/c1-5-8-11-9-12(14-10(4)13-11)17-18(19,15-6-2)16-7-3/h9H,5-8H2,1-4H3
InChIKey: AOIYMCGAKDGVHS-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:261 mg/kg

     PCOC**    Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: )1966,913.
2.    

orl-mus LD50:50 mg/kg

     PCOC**    Pesticide Chemicals Official Compendium ,Association of the American Pesticide Control Officials, Inc.(Topeka, KS.: )1966,913.
3.    

skn-rbt LD50:3500 mg/kg

     27ZTAP    Clinical Toxicology of Commercial Products-Acute Poisoning. 3 (1969),53.

Safety Profile

Poison by ingestion. Moderately toxic by skin contact. When heated to decomposition it emits very toxic fumes of NOx, POx, and SOx.

Specification

  Diethyl propylmethylpyrimidyl thiophosphate , its cas register number is 5826-91-5. It also can be called 4-23-00-02487 (Beilstein Handbook Reference) ; AI3-22820 ; BRN 0256656 ; G-24622 ; O,O-Diethyl-O-(2-n-propyl-4-methyl-pyrimidyl-
6)phosphorothioate ; O,O-Diethyl-O-(2-propyl-4-methylpyrimidinyl-6) phosphorothioate ; Pirazinon ; RCRA waste number P040 .