ChemSpider 2D Image | 2-Bromo-4-(difluoromethyl)isophthalaldehyde | C9H5BrF2O2

2-Bromo-4-(difluoromethyl)isophthalaldehyde

  • Molecular FormulaC9H5BrF2O2
  • Average mass263.036 Da
  • Monoisotopic mass261.944092 Da
  • ChemSpider ID62222278

More details:

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

1,3-Benzenedicarboxaldehyde, 2-bromo-4-(difluoromethyl)- [ACD/Index Name]
2-Brom-4-(difluormethyl)isophthalaldehyd [German] [ACD/IUPAC Name]
2-Bromo-4-(difluorométhyl)isophtalaldéhyde [French] [ACD/IUPAC Name]
2-Bromo-4-(difluoromethyl)isophthalaldehyde [ACD/IUPAC Name]
2091937-15-2 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 358.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.4±27.9 °C
Index of Refraction: 1.587
Molar Refractivity: 52.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 39.32
ACD/KOC (pH 5.5): 481.99
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 39.32
ACD/KOC (pH 7.4): 481.99
Polar Surface Area: 34 Å2
Polarizability: 20.9±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 156.9±3.0 cm3

Click to predict properties on the Chemicalize site


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