ChemSpider 2D Image | 2,6-Dichloro-3-(cyclopropylethynyl)benzonitrile | C12H7Cl2N

2,6-Dichloro-3-(cyclopropylethynyl)benzonitrile

  • Molecular FormulaC12H7Cl2N
  • Average mass236.097 Da
  • Monoisotopic mass234.995560 Da
  • ChemSpider ID84142793

More details:






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

2,6-Dichlor-3-(cyclopropylethinyl)benzonitril [German] [ACD/IUPAC Name]
2,6-Dichloro-3-(cyclopropylethynyl)benzonitrile [ACD/IUPAC Name]
2,6-Dichloro-3-(cyclopropyléthynyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2,6-dichloro-3-(2-cyclopropylethynyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 376.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 165.5±22.1 °C
Index of Refraction: 1.628
Molar Refractivity: 60.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 1026.39
ACD/KOC (pH 5.5): 4978.48
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1026.39
ACD/KOC (pH 7.4): 4978.48
Polar Surface Area: 24 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 169.3±5.0 cm3

Click to predict properties on the Chemicalize site






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