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

2-Amino-3-(trifluoromethoxy)phenyl thiocyanate

  • Molecular FormulaC8H5F3N2OS
  • Average mass234.198 Da
  • Monoisotopic mass234.007462 Da
  • ChemSpider ID34485911

More details:

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

2-Amino-3-(trifluormethoxy)phenylthiocyanat [German] [ACD/IUPAC Name]
2-Amino-3-(trifluoromethoxy)phenyl thiocyanate [ACD/IUPAC Name]
Thiocyanate de 2-amino-3-(trifluorométhoxy)phényle [French] [ACD/IUPAC Name]
Thiocyanic acid, 2-amino-3-(trifluoromethoxy)phenyl ester [ACD/Index Name]
1822818-45-0 [RN]
2-Thiocyanato-6-trifluoromethoxy-phenylamine
MFCD28044178

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

Density: 1.5±0.1 g/cm3
Boiling Point: 254.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.2±3.0 kJ/mol
Flash Point: 107.6±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: 2.63
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.20
ACD/KOC (pH 5.5): 463.23
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.20
ACD/KOC (pH 7.4): 463.23
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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