ChemSpider 2D Image | 2,2,2-Trifluoro-1-(4-methyl-3-nitrophenyl)ethanone | C9H6F3NO3

2,2,2-Trifluoro-1-(4-methyl-3-nitrophenyl)ethanone

  • Molecular FormulaC9H6F3NO3
  • Average mass233.144 Da
  • Monoisotopic mass233.029984 Da
  • ChemSpider ID34451682

More details:






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

2,2,2-Trifluor-1-(4-methyl-3-nitrophenyl)ethanon [German] [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(4-methyl-3-nitrophenyl)ethanone [ACD/IUPAC Name]
2,2,2-Trifluoro-1-(4-méthyl-3-nitrophényl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2,2-trifluoro-1-(4-methyl-3-nitrophenyl)- [ACD/Index Name]
2,2,2-trifluoro-1-(4-methyl-3-nitrophenyl)ethan-1-one
411233-46-0 [RN]
4'-Methyl-3??-nitro-2,2,2-trifluoroacetophenone
4'-Methyl-3?-nitro-2,2,2-trifluoroacetophenone
4'-Methyl-3’-nitro-2,2,2-trifluoroacetophenone
4'-Methyl-3'-nitro-2,2,2-trifluoroacetophenone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 240.0±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.7±3.0 kJ/mol
Flash Point: 99.0±25.9 °C
Index of Refraction: 1.493
Molar Refractivity: 48.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.53
ACD/KOC (pH 5.5): 535.37
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.53
ACD/KOC (pH 7.4): 535.37
Polar Surface Area: 63 Å2
Polarizability: 19.1±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 165.5±3.0 cm3

Click to predict properties on the Chemicalize site






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