ChemSpider 2D Image | (2R)-2-Methoxy-4H-1,3,2-benzodioxaphosphinine 2-sulfide | C8H9O3PS

(2R)-2-Methoxy-4H-1,3,2-benzodioxaphosphinine 2-sulfide

  • Molecular FormulaC8H9O3PS
  • Average mass216.194 Da
  • Monoisotopic mass216.001007 Da
  • ChemSpider ID34986679

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-Methoxy-4H-1,3,2-benzodioxaphosphinin-2-sulfid [German] [ACD/IUPAC Name]
(2R)-2-Methoxy-4H-1,3,2-benzodioxaphosphinine 2-sulfide [ACD/IUPAC Name]
2-Sulfure de (2R)-2-méthoxy-4H-1,3,2-benzodioxaphosphinine [French] [ACD/IUPAC Name]
4H-1,3,2-Benzodioxaphosphorin, 2-methoxy-, 2-sulfide, (2R)- [ACD/Index Name]
223-292-3 [EINECS]
3811-49-2 [RN]
Dioxabenzofos [BSI] [ISO]
UNII-6ZWK96BZW6

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

Density: 1.4±0.1 g/cm3
Boiling Point: 274.4±43.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.2±3.0 kJ/mol
Flash Point: 119.8±28.2 °C
Index of Refraction: 1.590
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.22
ACD/KOC (pH 5.5): 684.75
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.22
ACD/KOC (pH 7.4): 684.75
Polar Surface Area: 70 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 156.8±5.0 cm3

Click to predict properties on the Chemicalize site


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