ChemSpider 2D Image | O-(4-Brom-2,5-dichlorphenyl)-O-methyl-phenylphosphonothioat | C13H10BrCl2O2PS

O-(4-Brom-2,5-dichlorphenyl)-O-methyl-phenylphosphonothioat

  • Molecular FormulaC13H10BrCl2O2PS
  • Average mass412.066 Da
  • Monoisotopic mass409.869934 Da
  • ChemSpider ID57642010

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

O-(4-Brom-2,5-dichlorphenyl)-O-methyl-phenylphosphonothioat [ACD/IUPAC Name]
O-(4-Brom-2,5-dichlorphenyl)-O-methyl-phenylphosphonothioat [German] [ACD/IUPAC Name]
O-(4-Bromo-2,5-dichlorophenyl) O-methyl phenylphosphonothioate [ACD/IUPAC Name]
Phénylphosphonothioate de O-(4-bromo-2,5-dichlorophényle) et de O-méthyle [ACD/IUPAC Name]
Phénylphosphonothioate de O-(4-bromo-2,5-dichlorophényle) et de O-méthyle [French] [ACD/IUPAC Name]
Phosphonothioic acid, P-phenyl-, O-(4-bromo-2,5-dichlorophenyl) O-methyl ester [ACD/Index Name]
(S)-leptophos
O-(4-bromo-2,5-dichlorophenyl) O-methyl (S)-phenylphosphonothioate

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

Density: 1.7±0.1 g/cm3
Boiling Point: 444.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 222.6±31.5 °C
Index of Refraction: 1.651
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 6.02
ACD/BCF (pH 5.5): 22134.63
ACD/KOC (pH 5.5): 44852.66
ACD/LogD (pH 7.4): 6.02
ACD/BCF (pH 7.4): 22134.63
ACD/KOC (pH 7.4): 44852.66
Polar Surface Area: 60 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 62.0±5.0 dyne/cm
Molar Volume: 248.2±5.0 cm3

Click to predict properties on the Chemicalize site


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