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ChemSpider 2D Image | 1-(4-Isothiocyanatophenyl)-2-phenyldiazene | C13H9N3S

1-(4-Isothiocyanatophenyl)-2-phenyldiazene

  • Molecular FormulaC13H9N3S
  • Average mass239.296 Da
  • Monoisotopic mass239.051712 Da
  • ChemSpider ID21242821

More details:






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

1-(4-Isothiocyanatophenyl)-2-phenyldiazen [German] [ACD/IUPAC Name]
1-(4-Isothiocyanatophenyl)-2-phenyldiazene [ACD/IUPAC Name]
1-(4-Isothiocyanatophényl)-2-phényldiazène [French] [ACD/IUPAC Name]
Diazene, 1-(4-isothiocyanatophenyl)-2-phenyl- [ACD/Index Name]
4-Isothiocyanatoazobenzene
4-Phenylazophenyl isothiocyanate
4-phenylazophenylisothiocyanate
7612-96-6 [RN]

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

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.8±3.0 kJ/mol
Flash Point: 211.3±31.8 °C
Index of Refraction: 1.629
Molar Refractivity: 73.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 5.28
ACD/BCF (pH 5.5): 6027.96
ACD/KOC (pH 5.5): 17678.18
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 6027.96
ACD/KOC (pH 7.4): 17678.18
Polar Surface Area: 69 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 207.7±7.0 cm3

Click to predict properties on the Chemicalize site






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