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269410-22-2

Basic Information
CAS No.: 269410-22-2
Name: 2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL
Article Data: 4
Molecular Structure:
Molecular Structure of 269410-22-2 (2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL)
Formula: C13H19BO4
Molecular Weight: 250.102
Synonyms: 2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;Phenol, 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;2-Methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborola;4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester;4-Hydroxy-3-methoxyphenylboronic acid pinacol ester;4-Hydroxy-3-methoxyphenylboronic acid, pinacol cyclic ester;
Density: 1.11 g/cm3
Melting Point: 105-109 °C(lit.)
Boiling Point: 367.3 °C at 760 mmHg
Flash Point: 176 °C
Appearance: white to cream crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 47.92000
LogP: 1.70000
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Specification

The Phenol,2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 269410-22-2, is also known as 4-Hydroxy-3-methoxybenzeneboronic acid, pinacol ester. It belongs to the product category of Boronic acids. This chemical's molecular formula is C13H19BO4 and molecular weight is 250.1. What's more, its IUPAC name is 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol. It should be sealed and stored in dry places under 4 °C. What's more, it should be protected from oxides and non-compatible materials.

Physical properties of Phenol,2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 36.92 Å2; (5)Index of Refraction: 1.512; (6)Molar Refractivity: 67.35 cm3; (7)Molar Volume: 224.3 cm3; (8)Polarizability: 26.69×10-24cm3; (9)Surface Tension: 37.6 dyne/cm; (10)Density: 1.11 g/cm3; (11)Flash Point: 176 °C; (12)Enthalpy of Vaporization: 63.8 kJ/mol; (13)Boiling Point: 367.3 °C at 760 mmHg; (14)Vapour Pressure: 6.5E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)O)OC
(2)InChI: InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8,15H,1-5H3
(3)InChIKey: WFSJROCEOJANPD-UHFFFAOYSA-N