ChemSpider 2D Image | 2-Nitro-N-(3-thienylmethyl)-4-(trifluoromethyl)aniline | C12H9F3N2O2S

2-Nitro-N-(3-thienylmethyl)-4-(trifluoromethyl)aniline

  • Molecular FormulaC12H9F3N2O2S
  • Average mass302.272 Da
  • Monoisotopic mass302.033691 Da
  • ChemSpider ID25056406

More details:

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

2-Nitro-N-(3-thienylmethyl)-4-(trifluormethyl)anilin [German] [ACD/IUPAC Name]
2-Nitro-N-(3-thienylmethyl)-4-(trifluoromethyl)aniline [ACD/IUPAC Name]
2-Nitro-N-(3-thiénylméthyl)-4-(trifluorométhyl)aniline [French] [ACD/IUPAC Name]
2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline
3-Thiophenemethanamine, N-[2-nitro-4-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±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: 181.7±27.9 °C
Index of Refraction: 1.603
Molar Refractivity: 70.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 898.31
ACD/KOC (pH 5.5): 4525.46
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 898.31
ACD/KOC (pH 7.4): 4525.46
Polar Surface Area: 86 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 204.4±3.0 cm3

Click to predict properties on the Chemicalize site


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