ChemSpider 2D Image | alpha-endosulfan | C9H6Cl6O3S

α-endosulfan

  • Molecular FormulaC9H6Cl6O3S
  • Average mass406.925 Da
  • Monoisotopic mass403.816895 Da
  • ChemSpider ID29367913

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,8R,9S)-1,9,10,11,12,12-Hexachlor-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodec-10-en-5-oxid [German] [ACD/IUPAC Name]
(1R,2S,8R,9S)-1,9,10,11,12,12-Hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodec-10-ene 5-oxide [ACD/IUPAC Name]
203-777-6 [EINECS]
5-Oxyde de (1R,2S,8R,9S)-1,9,10,11,12,12-hexachloro-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodéc-10-ène [French] [ACD/IUPAC Name]
6,9-Methano-2,4,3-benzodioxathiepin, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-, 3-oxide, (5aR,6S,9R,9aS)- [ACD/Index Name]
Endosulfan I
Endosulfan I (α)
MFCD00151174
RB9275100
α-endosulfan [ISO]
More...

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

2950316 [DBID]
QY5Y9R7G0E [DBID]
UNII:QY5Y9R7G0E [DBID]

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 449.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 68.1±3.0 kJ/mol
    Flash Point: 225.8±28.7 °C
    Index of Refraction: 1.675
    Molar Refractivity: 78.4±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.13
    ACD/LogD (pH 5.5): 3.87
    ACD/BCF (pH 5.5): 512.85
    ACD/KOC (pH 5.5): 3029.81
    ACD/LogD (pH 7.4): 3.87
    ACD/BCF (pH 7.4): 512.85
    ACD/KOC (pH 7.4): 3029.81
    Polar Surface Area: 55 Å2
    Polarizability: 31.1±0.5 10-24cm3
    Surface Tension: 75.0±5.0 dyne/cm
    Molar Volume: 208.7±5.0 cm3

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