ChemSpider 2D Image | 1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene | C8H3BrF3NS

1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene

  • Molecular FormulaC8H3BrF3NS
  • Average mass282.080 Da
  • Monoisotopic mass280.912170 Da
  • ChemSpider ID21390976

More details:

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

1-Brom-4-isothiocyanato-2-(trifluormethyl)benzol [German] [ACD/IUPAC Name]
1-Bromo-4-isothiocyanato-2-(trifluoromethyl)benzene [ACD/IUPAC Name]
1-Bromo-4-isothiocyanato-2-(trifluorométhyl)benzène [French] [ACD/IUPAC Name]
948294-47-1 [RN]
Benzene, 1-bromo-4-isothiocyanato-2-(trifluoromethyl)- [ACD/Index Name]
4-Bromo-3-trifluoromethylphenylisothiocyanate
FS-5655
MFCD09800658

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

Density: 1.6±0.1 g/cm3
Boiling Point: 285.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.3±3.0 kJ/mol
Flash Point: 126.4±27.3 °C
Index of Refraction: 1.548
Molar Refractivity: 54.9±0.5 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2515.47
ACD/KOC (pH 5.5): 9457.12
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2515.47
ACD/KOC (pH 7.4): 9457.12
Polar Surface Area: 44 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 33.5±7.0 dyne/cm
Molar Volume: 172.9±7.0 cm3

Click to predict properties on the Chemicalize site


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