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| CAS No.: | 181219-01-2 |
|---|---|
| Name: | 4-Pyridineboronic acid pinacol ester |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C11H16BNO2 |
| Molecular Weight: | 205.065 |
| Synonyms: | 2-(Pyrid-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;4,4,5,5-Tetramethyl-2-(pyridin-4-yl)-1,3,2-dioxaborolane;4-(4,4,5,5-Tetramethyl-1,3,2-dioxoborolan-2-yl)pyridine;Pyridine-4-boronicacid pinacol ester;(4-Pyridyl)boronicacid pinacol ester;2-(4-Pyridyl)-4,4,5,5-tetramethyl-1,3-dioxaborolane; |
| EINECS: | -0 |
| Density: | 1.035 g/cm3 |
| Melting Point: | 149-153 °C(lit.) |
| Boiling Point: | 300.902 °C at 760 mmHg |
| Flash Point: | 135.781 °C |
| Solubility: | insoluble in water |
| Appearance: | white to off-white powder |
| Hazard Symbols: |
 Xi, C, F
|
| Risk Codes: | 36/37/38-34-11 |
| Safety: | 26-45-36/37/39-16 |
| PSA: | 31.35000 |
| LogP: | 1.38080 |
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Specification
The 4-Pyridineboronic acid pinacol ester, with the CAS registry number 181219-01-2, is also known as Pyridine-4-boronicacid pinacol ester. It belongs to the product categories of Blocks; Boronic Acids; Pyridines; Boronic ester; Organoborons; Pyridine; B (Classes of Boron Compounds); Boronic Acids Esters; Boronic acid; Boronate Esters; Boronic Acids and Derivatives; Chemical Synthesis; Heteroaryl Boronate Esters; Organometallic Reagents. This chemical's molecular formula is C11H16BNO2 and molecular weight is 205.06. What's more, its systematic name is 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
Physical properties of 4-Pyridineboronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 31.35 Å2; (5)Index of Refraction: 1.49; (6)Molar Refractivity: 57.256 cm3; (7)Molar Volume: 198.18 cm3; (8)Polarizability: 22.698×10-24cm3; (9)Surface Tension: 33.7 dyne/cm; (10)Density: 1.035 g/cm3; (11)Flash Point: 135.781 °C; (12)Enthalpy of Vaporization: 51.937 kJ/mol; (13)Boiling Point: 300.902 °C at 760 mmHg; (14)Vapour Pressure: 0.002 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is highly flammable, so you should keep it away from sources of ignition - No smoking. It is irritating to eyes, respiratory system and skin. It can cause burns. 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, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2ccncc2
(2)Std. InChI: InChI=1S/C11H16BNO2/c1-10(2)11(3,4)15-12(14-10)9-5-7-13-8-6-9/h5-8H,1-4H3
(3)Std. InChIKey: NLTIETZTDSJANS-UHFFFAOYSA-N