Product Name

  • Name

    3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene

  • EINECS
  • CAS No. 253342-48-2
  • Article Data126
  • CAS DataBase
  • Density 0.98 g/cm3
  • Solubility
  • Melting Point 34.0 to 38.0 °C
  • Formula C13H19BO2
  • Boiling Point 307.2 °C at 760 mmHg
  • Molecular Weight 218.104
  • Flash Point 139.6 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes 22
  • Molecular Structure Molecular Structure of 253342-48-2 (3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene)
  • Hazard Symbols Xn
  • Synonyms 2-(3-TOLYL)-4,4,6-TRIMETHYL-1,3,2-DIOXABORINATE;3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)TOLUENE;3-TOLYLBORONIC ACID, HEXYLENE GLYCOL CYCLIC ESTER;3-METHYLPHENYLBORONIC ACID, PINACOL ESTER;2-dioxaborolan-2-yl)toluene;3-Methylbenzeneboronic acid, pinacol ester;4,4,5,5-Tetramethyl-2-m-tolyl-1,3,2-dioxaborolane;4,4,5,5-tetraMethyl-2-(3-Methylphenyl)-1,3,2-dioxaborolane
  • PSA 18.46000
  • LogP 2.29420

1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(3-methylphenyl)- Specification

The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(3-methylphenyl)- is an organic compound with the formula C13H19BO2. The IUPAC name of this chemical is  4,4,5,5-tetramethyl-2-(3-methylphenyl)-1,3,2-dioxaborolane. With the CAS registry number 253342-48-2, it is also named as 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl).

Physical properties about 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-(3-methylphenyl)- are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 18.46 Å2; (4)Index of Refraction: 1.491; (5)Molar Refractivity: 64.08 cm3; (6)Molar Volume: 221.1 cm3; (7)Polarizability: 25.4×10-24cm3; (8)Surface Tension: 30.5 dyne/cm; (9)Density: 0.98 g/cm3; (10)Flash Point: 139.6 °C; (11)Enthalpy of Vaporization: 52.59 kJ/mol; (12)Boiling Point: 307.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00134 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2cccc(c2)C
(2)InChI: InChI=1/C13H19BO2/c1-10-7-6-8-11(9-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
(3)InChIKey: XDKYCZBGHPGKEP-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C13H19BO2/c1-10-7-6-8-11(9-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
(5)Std. InChIKey: XDKYCZBGHPGKEP-UHFFFAOYSA-N

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