ChemSpider 2D Image | Vat Blue 36 | C18H10Cl3NO3S

Vat Blue 36

  • Molecular FormulaC18H10Cl3NO3S
  • Average mass426.701 Da
  • Monoisotopic mass424.944702 Da
  • ChemSpider ID23351917

More details:






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

3H-Indol-3-one, 5-chloro-2-(5,7-dichloro-3-oxobenzo[b]thien-2(3H)-ylidene)-1,2-dihydro-7-methoxy-4-methyl- [ACD/Index Name]
5-Chlor-2-(5,7-dichlor-3-oxo-1-benzothiophen-2(3H)-yliden)-7-methoxy-4-methyl-1,2-dihydro-3H-indol-3-on [German] [ACD/IUPAC Name]
5-Chloro-2-(5,7-dichloro-3-oxo-1-benzothiophen-2(3H)-ylidene)-7-methoxy-4-methyl-1,2-dihydro-3H-indol-3-one [ACD/IUPAC Name]
5-Chloro-2-(5,7-dichloro-3-oxo-1-benzothiophén-2(3H)-ylidène)-7-méthoxy-4-méthyl-1,2-dihydro-3H-indol-3-one [French] [ACD/IUPAC Name]
Vat Blue 36
6424-69-7 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±30.1 °C
Index of Refraction: 1.709
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23221.95
ACD/KOC (pH 5.5): 46419.03
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23221.95
ACD/KOC (pH 7.4): 46419.03
Polar Surface Area: 81 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

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