ChemSpider 2D Image | 5-(~2~H_2_)Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile | C12H2D2Cl2F6N4OS

5-(2H2)Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile

  • Molecular FormulaC12H2D2Cl2F6N4OS
  • Average mass439.160 Da
  • Monoisotopic mass437.951263 Da
  • ChemSpider ID95594729

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Pyrazole-3-carbonitrile, 5-(amino-d2)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]- [ACD/Index Name]
5-(2H2)Amino-1-[2,6-dichlor-4-(trifluormethyl)phenyl]-4-[(trifluormethyl)sulfinyl]-1H-pyrazol-3-carbonitril [German] [ACD/IUPAC Name]
5-(2H2)Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile [ACD/IUPAC Name]
5-(2H2)Amino-1-[2,6-dichloro-4-(trifluorométhyl)phényl]-4-[(trifluorométhyl)sulfinyl]-1H-pyrazole-3-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 510.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.3±30.1 °C
Index of Refraction: 1.618
Molar Refractivity: 81.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 387.05
ACD/KOC (pH 5.5): 2477.00
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 387.05
ACD/KOC (pH 7.4): 2477.00
Polar Surface Area: 104 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 233.7±7.0 cm3

Click to predict properties on the Chemicalize site


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