ChemSpider 2D Image | (1R,2R,8S,9R)-1,9,10,11,12,12-Hexachloro(3,3,7,7-~2~H_4_)-4,6-dioxa-5-thiatricyclo[7.2.1.0~2,8~]dodec-10-ene 5,5-dioxide | C9H2D4Cl6O4S

(1R,2R,8S,9R)-1,9,10,11,12,12-Hexachloro(3,3,7,7-2H4)-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide

  • Molecular FormulaC9H2D4Cl6O4S
  • Average mass426.949 Da
  • Monoisotopic mass423.836914 Da
  • ChemSpider ID77499267

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R,8S,9R)-1,9,10,11,12,12-Hexachlor(3,3,7,7-2H4)-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodec-10-en-5,5-dioxid [German] [ACD/IUPAC Name]
(1R,2R,8S,9R)-1,9,10,11,12,12-Hexachloro(3,3,7,7-2H4)-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodec-10-ene 5,5-dioxide [ACD/IUPAC Name]
5,5-Dioxyde de (1R,2R,8S,9R)-1,9,10,11,12,12-hexachloro(3,3,7,7-2H4)-4,6-dioxa-5-thiatricyclo[7.2.1.02,8]dodéc-10-ène [French] [ACD/IUPAC Name]
6,9-Methano-2,4,3-benzodioxathiepin-1,5-d2, 6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-1,5-d2-, 3,3-dioxide, (5aR,6R,9R,9aS)- [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 480.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 71.7±3.0 kJ/mol
Flash Point: 244.5±28.7 °C
Index of Refraction: 1.638
Molar Refractivity: 78.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 819.11
ACD/KOC (pH 5.5): 4236.15
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 819.11
ACD/KOC (pH 7.4): 4236.15
Polar Surface Area: 61 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 217.8±5.0 cm3

Click to predict properties on the Chemicalize site


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