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

2-Chloro-4-(4-piperidinyloxy)benzonitrile

  • Molecular FormulaC12H13ClN2O
  • Average mass236.697 Da
  • Monoisotopic mass236.071640 Da
  • ChemSpider ID21242662

More details:

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

2-Chlor-4-(4-piperidinyloxy)benzonitril [German] [ACD/IUPAC Name]
2-CHLORO-4-(4-PIPERIDINYLOXY) BENZONITRILE
2-Chloro-4-(4-piperidinyloxy)benzonitrile [ACD/IUPAC Name]
2-Chloro-4-(4-pipéridinyloxy)benzonitrile [French] [ACD/IUPAC Name]
2-chloro-4-(piperidin-4-yloxy)benzonitrile
796600-10-7 [RN]
Benzonitrile, 2-chloro-4-(4-piperidinyloxy)- [ACD/Index Name]
[796600-10-7] [RN]
2-chloro-4-(4-piperidyloxy)benzenecarbonitrile
2-Chloro-4-(Piperidin-4-Yl-Oxy)Benzonitrile
More...

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

MFCD08060977 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Safety:

      20/21/22-36/37/38 Alfa Aesar H50774
      6.1 Alfa Aesar H50774
      9-26-36/37 Alfa Aesar H50774
      DANGER: POISON, causes cyanosis; skin, eye, lung irritation Alfa Aesar H50774
      H302-H312-H332-H315-H319-H335 Alfa Aesar H50774
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H50774
      Warning Alfa Aesar H50774

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: 2.65
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.04
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


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