ChemSpider 2D Image | 5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid | C12H9F3N2O2

5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC12H9F3N2O2
  • Average mass270.207 Da
  • Monoisotopic mass270.061615 Da
  • ChemSpider ID21374334

More details:






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

126067-60-5 [RN]
1H-Pyrazole-3-carboxylic acid, 5-methyl-1-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid
5-Methyl-1-[3-(trifluormethyl)phenyl]-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-1-[3-(trifluorométhyl)phényl]-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]
[126067-60-5] [RN]
3-carboxylic acid
5-Methyl-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylic acid
5-Methyl-1-(3-trifluoromethyl-phenyl)-1H-pyrazole-
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 386.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 67.0±3.0 kJ/mol
Flash Point: 187.3±27.9 °C
Index of Refraction: 1.552
Molar Refractivity: 61.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 4.64
ACD/KOC (pH 5.5): 39.73
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 55 Å2
Polarizability: 24.4±0.5 10-24cm3
Surface Tension: 39.4±7.0 dyne/cm
Molar Volume: 192.1±7.0 cm3

Click to predict properties on the Chemicalize site






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