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ChemSpider 2D Image | 3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid | C14H19BO4

3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid

  • Molecular FormulaC14H19BO4
  • Average mass262.109 Da
  • Monoisotopic mass262.137634 Da
  • ChemSpider ID26461013

More details:






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

3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoesäure [German] [ACD/IUPAC Name]
3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid [ACD/IUPAC Name]
Acide 3-méthyl-5-(4,4,5,5-tétraméthyl-1,3,2-dioxaborolan-2-yl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- [ACD/Index Name]
1150561-67-3 [RN]
'1150561-67-3
3-Carboxy-5-methylphenylboronic acid pinacol ester
3-Carboxy-5-methylphenylboronic acid, pinacol ester
3-Carboxy-5-methylphenylboronicacid,pinacolester
MFCD12026101 [MDL number]

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-26642]
    • Safety:

      20/21/22 Novochemy [NC-26642]
      20/21/36/37/39 Novochemy [NC-26642]
      GHS07; GHS09 Novochemy [NC-26642]
      H332; H403 Novochemy [NC-26642]
      P332+P313; P305+P351+P338 Novochemy [NC-26642]
      R52/53 Novochemy [NC-26642]
      Warning Novochemy [NC-26642]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 413.2±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.2±3.0 kJ/mol
Flash Point: 203.7±26.8 °C
Index of Refraction: 1.520
Molar Refractivity: 70.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 56 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 231.5±5.0 cm3

Click to predict properties on the Chemicalize site






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