ChemSpider 2D Image | 2-Amino-5-(trifluoromethoxy)phenyl thiocyanate | C8H5F3N2OS

2-Amino-5-(trifluoromethoxy)phenyl thiocyanate

  • Molecular FormulaC8H5F3N2OS
  • Average mass234.198 Da
  • Monoisotopic mass234.007462 Da
  • ChemSpider ID48058411

More details:

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

2-Amino-5-(trifluormethoxy)phenylthiocyanat [German] [ACD/IUPAC Name]
2-Amino-5-(trifluoromethoxy)phenyl thiocyanate [ACD/IUPAC Name]
Thiocyanate de 2-amino-5-(trifluorométhoxy)phényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 2-amino-5-(trifluoromethoxy)phenyl ester [ACD/Index Name]
[2-amino-5-(trifluoromethoxy)phenyl] thiocyanate
1391054-04-8 [RN]
2-thiocyanato-4-(trifluoromethoxy)aniline
MFCD28143467

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 266.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 50.4±3.0 kJ/mol
    Flash Point: 114.7±27.3 °C
    Index of Refraction: 1.550
    Molar Refractivity: 49.7±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.28
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.85
    ACD/KOC (pH 5.5): 326.80
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.85
    ACD/KOC (pH 7.4): 326.81
    Polar Surface Area: 84 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 50.4±5.0 dyne/cm
    Molar Volume: 156.1±5.0 cm3

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