ChemSpider 2D Image | 4-Amino-3-(trifluoromethoxy)phenyl thiocyanate | C8H5F3N2OS

4-Amino-3-(trifluoromethoxy)phenyl thiocyanate

  • Molecular FormulaC8H5F3N2OS
  • Average mass234.198 Da
  • Monoisotopic mass234.007462 Da
  • ChemSpider ID25949654

More details:

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

{[4-AMINO-3-(TRIFLUOROMETHOXY)PHENYL]SULFANYL}FORMONITRILE
1133115-28-2 [RN]
4-Amino-3-(trifluormethoxy)phenylthiocyanat [German] [ACD/IUPAC Name]
4-Amino-3-(trifluoromethoxy)phenyl thiocyanate [ACD/IUPAC Name]
Thiocyanate de 4-amino-3-(trifluorométhoxy)phényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 4-amino-3-(trifluoromethoxy)phenyl ester [ACD/Index Name]
[1133115-28-2] [RN]
4-Thiocyanato-2-(trifluoromethoxy)aniline
4-Thiocyanato-2-trifluoromethoxy-phenylamine
AN-1399
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 285.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.4±3.0 kJ/mol
    Flash Point: 126.2±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: 2.45
    ACD/LogD (pH 5.5): 2.27
    ACD/BCF (pH 5.5): 31.17
    ACD/KOC (pH 5.5): 408.18
    ACD/LogD (pH 7.4): 2.27
    ACD/BCF (pH 7.4): 31.17
    ACD/KOC (pH 7.4): 408.19
    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

    Click to predict properties on the Chemicalize site


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