ChemSpider 2D Image | 4-[2-(4-Phenyl-2-pyridinyl)-1,3-thiazol-4-yl]benzonitrile | C21H13N3S

4-[2-(4-Phenyl-2-pyridinyl)-1,3-thiazol-4-yl]benzonitrile

  • Molecular FormulaC21H13N3S
  • Average mass339.413 Da
  • Monoisotopic mass339.083008 Da
  • ChemSpider ID31103096

More details:

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

4-[2-(4-Phenyl-2-pyridinyl)-1,3-thiazol-4-yl]benzonitril [German] [ACD/IUPAC Name]
4-[2-(4-Phenyl-2-pyridinyl)-1,3-thiazol-4-yl]benzonitrile [ACD/IUPAC Name]
4-[2-(4-Phényl-2-pyridinyl)-1,3-thiazol-4-yl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(4-phenyl-2-pyridinyl)-4-thiazolyl]- [ACD/Index Name]
1858240-63-7 [RN]
4-(4-Cyanophenyl)-2-(4-phenyl-2-pyridyl)thiazole
4-[2-(4-phenylpyridin-2-yl)-1,3-thiazol-4-yl]benzonitrile
MFCD22683020 [MDL number]
  • Miscellaneous

    • Safety:

      20/21/22-36/37/38 Alfa Aesar H58876
      6.1 Alfa Aesar H58876
      9-26-36/37-60 Alfa Aesar H58876
      H302-H312-H332-H315-H319-H335 Alfa Aesar H58876
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H58876
      Warning Alfa Aesar H58876

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

Density: 1.3±0.1 g/cm3
Boiling Point: 592.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.2±32.9 °C
Index of Refraction: 1.708
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3478.09
ACD/KOC (pH 5.5): 11925.67
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3478.18
ACD/KOC (pH 7.4): 11925.97
Polar Surface Area: 78 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 73.8±5.0 dyne/cm
Molar Volume: 254.2±5.0 cm3

Click to predict properties on the Chemicalize site


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