ChemSpider 2D Image | 2-Chloro-4-(3-piperidinyloxy)benzonitrile | C12H13ClN2O


  • Molecular FormulaC12H13ClN2O
  • Average mass236.697 Da
  • Monoisotopic mass236.071640 Da
  • ChemSpider ID21242749

More details:

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

2-Chlor-4-(3-piperidinyloxy)benzonitril [German] [ACD/IUPAC Name]
2-Chloro-4-(3-piperidinyloxy)benzonitrile [ACD/IUPAC Name]
2-Chloro-4-(3-pipéridinyloxy)benzonitrile [French] [ACD/IUPAC Name]
902836-92-4 [RN]
Benzonitrile, 2-chloro-4-(3-piperidinyloxy)- [ACD/Index Name]

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

MFCD08061078 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      22-36/37/38 Alfa Aesar H50938
      26-36/37 Alfa Aesar H50938
      DANGER: POISON, causes cyanosis; skin, eye, lung irritation Alfa Aesar H50938
      H302-H315-H319-H335 Alfa Aesar H50938
      P280h-P305+P351+P338 Alfa Aesar H50938
      Warning Alfa Aesar H50938
      WARNING: Irritates skin and eyes, harmful if swallowed Alfa Aesar H50938

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

Density: 1.3±0.1 g/cm3
Boiling Point: 404.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.6±3.0 kJ/mol
Flash Point: 198.4±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 62.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.40
ACD/KOC (pH 7.4): 15.59
Polar Surface Area: 45 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 188.9±5.0 cm3

Click to predict properties on the Chemicalize site