ChemSpider 2D Image | N-[(4,5-Dibromo-2-thienyl)methyl]-3-ethynylaniline | C13H9Br2NS

N-[(4,5-Dibromo-2-thienyl)methyl]-3-ethynylaniline

  • Molecular FormulaC13H9Br2NS
  • Average mass371.090 Da
  • Monoisotopic mass368.882233 Da
  • ChemSpider ID51991425

More details:

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

2-Thiophenemethanamine, 4,5-dibromo-N-(3-ethynylphenyl)- [ACD/Index Name]
N-[(4,5-Dibrom-2-thienyl)methyl]-3-ethinylanilin [German] [ACD/IUPAC Name]
N-[(4,5-Dibromo-2-thienyl)methyl]-3-ethynylaniline [ACD/IUPAC Name]
N-[(4,5-Dibromo-2-thiényl)méthyl]-3-éthynylaniline [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 453.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.1±28.7 °C
Index of Refraction: 1.701
Molar Refractivity: 80.4±0.4 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 2222.74
ACD/KOC (pH 5.5): 8653.23
ACD/LogD (pH 7.4): 4.71
ACD/BCF (pH 7.4): 2224.90
ACD/KOC (pH 7.4): 8661.62
Polar Surface Area: 40 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 207.8±5.0 cm3

Click to predict properties on the Chemicalize site


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