ChemSpider 2D Image | 3-Bromo-5-(difluoromethyl)-2-thiophenecarboxylic acid | C6H3BrF2O2S

3-Bromo-5-(difluoromethyl)-2-thiophenecarboxylic acid

  • Molecular FormulaC6H3BrF2O2S
  • Average mass257.053 Da
  • Monoisotopic mass255.900513 Da
  • ChemSpider ID71086863

More details:

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

2-Thiophenecarboxylic acid, 3-bromo-5-(difluoromethyl)- [ACD/Index Name]
3-Brom-5-(difluormethyl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
3-Bromo-5-(difluoromethyl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 3-bromo-5-(difluorométhyl)-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
2248269-34-1 [RN]
3-bromo-5-(difluoromethyl)thiophene-2-carboxylic acid

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

Density: 1.9±0.1 g/cm3
Boiling Point: 340.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.6±3.0 kJ/mol
Flash Point: 159.5±27.9 °C
Index of Refraction: 1.570
Molar Refractivity: 44.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 135.6±3.0 cm3

Click to predict properties on the Chemicalize site


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