ChemSpider 2D Image | 3,5-Dibromo-4-methylbenzonitrile | C8H5Br2N

3,5-Dibromo-4-methylbenzonitrile

  • Molecular FormulaC8H5Br2N
  • Average mass274.940 Da
  • Monoisotopic mass272.878845 Da
  • ChemSpider ID21790482

More details:

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

3,5-Dibrom-4-methylbenzonitril [German] [ACD/IUPAC Name]
3,5-Dibromo-4-methylbenzonitrile [ACD/IUPAC Name]
3,5-Dibromo-4-méthylbenzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3,5-dibromo-4-methyl- [ACD/Index Name]
116596-20-4 [RN]
3,5-Dibromo-4-methyl-benzonitrile
59596-31-5 [RN]
MFCD00672995

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

PubChem Substance ID 24859066 [DBID]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 291.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.1±3.0 kJ/mol
Flash Point: 130.4±25.9 °C
Index of Refraction: 1.642
Molar Refractivity: 51.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 3.62
ACD/BCF (pH 5.5): 331.32
ACD/KOC (pH 5.5): 2216.14
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 331.32
ACD/KOC (pH 7.4): 2216.14
Polar Surface Area: 24 Å2
Polarizability: 20.4±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 142.3±5.0 cm3

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