ChemSpider 2D Image | [3-Bromo-5-(trifluoromethyl)phenyl]acetonitrile | C9H5BrF3N

[3-Bromo-5-(trifluoromethyl)phenyl]acetonitrile

  • Molecular FormulaC9H5BrF3N
  • Average mass264.042 Da
  • Monoisotopic mass262.955750 Da
  • ChemSpider ID23347473

More details:

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

[3-Brom-5-(trifluormethyl)phenyl]acetonitril [German] [ACD/IUPAC Name]
[3-Bromo-5-(trifluoromethyl)phenyl]acetonitrile [ACD/IUPAC Name]
[3-Bromo-5-(trifluorométhyl)phényl]acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 3-bromo-5-(trifluoromethyl)- [ACD/Index Name]
1214384-00-5 [RN]
2-[3-bromo-5-(trifluoromethyl)phenyl]acetonitrile
3-Bromo-5-(trifluoromethyl)phenylacetonitrile
MFCD13185430

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

Density: 1.6±0.1 g/cm3
Boiling Point: 262.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 50.0±3.0 kJ/mol
Flash Point: 112.7±25.9 °C
Index of Refraction: 1.497
Molar Refractivity: 48.4±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 3.40
ACD/BCF (pH 5.5): 227.11
ACD/KOC (pH 5.5): 1691.21
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 227.11
ACD/KOC (pH 7.4): 1691.21
Polar Surface Area: 24 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 165.3±3.0 cm3

Click to predict properties on the Chemicalize site


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