ChemSpider 2D Image | O,O-Diethyl O-(2,3,6-trichloro-4-pyridinyl) phosphorothioate | C9H11Cl3NO3PS

O,O-Diethyl O-(2,3,6-trichloro-4-pyridinyl) phosphorothioate

  • Molecular FormulaC9H11Cl3NO3PS
  • Average mass350.586 Da
  • Monoisotopic mass348.926270 Da
  • ChemSpider ID57442161

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

O,O-Diethyl O-(2,3,6-trichloro-4-pyridinyl) phosphorothioate [ACD/IUPAC Name]
O,O-Diethyl-O-(2,3,6-trichlor-4-pyridinyl)phosphorothioat [German] [ACD/IUPAC Name]
Phosphorothioate de O,O-diéthyle et de O-(2,3,6-trichloro-4-pyridinyle) [French] [ACD/IUPAC Name]
Phosphorothioic acid, O,O-diethyl O-(2,3,6-trichloro-4-pyridinyl) ester [ACD/Index Name]
83866-95-9 [RN]
O,O-Diethyl O-(2,3,6-trichloropyridin-4-yl) phosphorothioate
PHOSPHOROTHIOIC ACID O,O-DIETHYL O-(2,3,6-TRICHLORO-PYRIDIN-4-YL) ESTER

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 386.7±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.1±3.0 kJ/mol
Flash Point: 187.7±30.7 °C
Index of Refraction: 1.566
Molar Refractivity: 77.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2848.49
ACD/KOC (pH 5.5): 10337.32
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2848.49
ACD/KOC (pH 7.4): 10337.32
Polar Surface Area: 82 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 236.8±3.0 cm3

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