CAS No.195062-57-8,4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)TOLUENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	195062-57-8
Name:	4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)TOLUENE
Article Data:	222

Formula:	C₁₃H₁₉BO₂
Molecular Weight:	218.104
Synonyms:	2-(4-Methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane;4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)toluene;4,4,5,5-Tetramethyl-2-p-tolyl-1,3,2-dioxaborolane;
Density:	0.98 g/cm³
Melting Point:	53.3-54.0 °C
Boiling Point:	298.2 °C at 760 mmHg
Flash Point:	134.1 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	18.46000
LogP:	2.29420

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Specification

The 4-Methylphenylboronic acid pinacol ester, with the CAS registry number 195062-57-8, is also known as 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-(4-methylphenyl)-. This chemical's molecular formula is C₁₃H₁₉BO₂ and molecular weight is 218.10. What's more, both its IUPAC name and systematic name are the same which is called 4,4,5,5-Tetramethyl-2-(4-methylphenyl)-1,3,2-dioxaborolane.

Physical properties about 4-Methylphenylboronic acid pinacol ester are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 18.46 Å²; (5)Index of Refraction: 1.491; (6)Molar Refractivity: 64.08 cm³; (7)Molar Volume: 221.1 cm³; (8)Surface Tension: 30.5 dyne/cm; (9)Density: 0.98 g/cm³; (10)Flash Point: 134.1 °C; (11)Enthalpy of Vaporization: 51.66 kJ/mol; (12)Boiling Point: 298.2 °C at 760 mmHg; (13)Vapour Pressure: 0.00229 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1B(OC(C)(C)C1(C)C)c2ccc(cc2)C
(2) InChI: InChI=1S/C13H19BO2/c1-10-6-8-11(9-7-10)14-15-12(2,3)13(4,5)16-14/h6-9H,1-5H3
(3) InChIKey: GKSSEDDAXXEPCP-UHFFFAOYSA-N