ChemSpider 2D Image | [4-(~2~H_3_)Methylphenyl]boronic acid | C7H6D3BO2

[4-(2H3)Methylphenyl]boronic acid

  • Molecular FormulaC7H6D3BO2
  • Average mass138.975 Da
  • Monoisotopic mass139.088394 Da
  • ChemSpider ID26496326
  • Non-standard isotope - Non-standard isotope


More details:






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

[4-(2H3)Methylphenyl]boronic acid [ACD/IUPAC Name]
[4-(2H3)Methylphenyl]borsäure [German] [ACD/IUPAC Name]
Acide [4-(2H3)méthylphényl]boronique [French] [ACD/IUPAC Name]
Boronic acid, B-[4-(methyl-d3)phenyl]- [ACD/Index Name]
1398503-82-6 [RN]
4-(Methyl-d3)-phenylboronic acid
4-Methylbenzeneboronic acid (Methyl D3)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 275.2±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 54.3±3.0 kJ/mol
Flash Point: 120.2±25.4 °C
Index of Refraction: 1.528
Molar Refractivity: 37.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 17.16
ACD/KOC (pH 5.5): 266.20
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 16.57
ACD/KOC (pH 7.4): 257.08
Polar Surface Area: 40 Å2
Polarizability: 15.0±0.5 10-24cm3
Surface Tension: 40.1±5.0 dyne/cm
Molar Volume: 123.2±5.0 cm3

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