ChemSpider 2D Image | Endosulfan | C9H6Cl6O3S

Endosulfan

  • Molecular FormulaC9H6Cl6O3S
  • Average mass406.925 Da
  • Monoisotopic mass403.816895 Da
  • ChemSpider ID21117730
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1R,2R,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,2R,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]
115-29-7 [RN]
204-079-4 [EINECS]
5-Oxyde de (1R,2R,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,6R,9S,9aR)- [ACD/Index Name]
Endosulfan [Wiki]
1,2,3,4,7,7-Hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin-3-oxide
1,2,3,4,7,7-Hexachloro-5-norbornene-2,3-dimethanol, cyclic sulfite
1,2,3,4,7,7-hexachlorobicyclo[2.2.1]-2-h eptene-5,6-bisoxymethylene sulfite
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

BIO 5462 [DBID]
fmc 5462 [DBID]
nia 5462 [DBID]
oms 570 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

Click to predict properties on the Chemicalize site


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