ChemSpider 2D Image | 5-(Benzyloxy)-2-pyrimidinecarbonitrile | C12H9N3O

5-(Benzyloxy)-2-pyrimidinecarbonitrile

  • Molecular FormulaC12H9N3O
  • Average mass211.219 Da
  • Monoisotopic mass211.074554 Da
  • ChemSpider ID24022390

More details:






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

166672-22-6 [RN]
2-Pyrimidinecarbonitrile, 5-(phenylmethoxy)- [ACD/Index Name]
5-(Benzyloxy)-2-pyrimidincarbonitril [German] [ACD/IUPAC Name]
5-(Benzyloxy)-2-pyrimidinecarbonitrile [ACD/IUPAC Name]
5-(Benzyloxy)-2-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-(Benzyloxy)pyrimidine-2-carbonitrile
[166672-22-6] [RN]
5-(benzyloxy)-2-cyanopyrimidine
5-(Benzyloxy)pyrimidine [ACD/IUPAC Name]
5-(Benzyloxy)pyrimidine-2-Carbonitrile (en)
More...

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-33760]
    • Safety:

      20/21/22 Novochemy [NC-33760]
      20/21/36/37/39 Novochemy [NC-33760]
      GHS07; GHS09 Novochemy [NC-33760]
      H332; H403 Novochemy [NC-33760]
      P301+P310; P337+P313 Novochemy [NC-33760]
      R52/53 Novochemy [NC-33760]
      Warning Novochemy [NC-33760]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 406.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.8±3.0 kJ/mol
Flash Point: 199.5±26.5 °C
Index of Refraction: 1.604
Molar Refractivity: 58.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 7.34
ACD/KOC (pH 5.5): 144.98
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 7.34
ACD/KOC (pH 7.4): 144.98
Polar Surface Area: 59 Å2
Polarizability: 23.0±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 168.7±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement