Product Name

  • Name

    Thiophosphoric acid O,O-diethyl O-(2-propyl-6-methylpyrimidin-4-yl) ester

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

Diethyl propylmethylpyrimidyl thiophosphate Chemical Properties

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

Diethyl propylmethylpyrimidyl thiophosphate 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.

Diethyl propylmethylpyrimidyl thiophosphate Safety Profile

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

Diethyl propylmethylpyrimidyl thiophosphate 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 .

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