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| CAS No.: | 214360-76-6 |
|---|---|
| Name: | 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOL |
| Molecular Structure: | |
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| Formula: | C12H17BO3 |
| Molecular Weight: | 220.076 |
| Synonyms: | 2-(3-Hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenol;3-Hydroxyphenylboronic acid pinacol ester; |
| Density: | 1.088 g/cm3 |
| Melting Point: | 94-98 °C(lit.) |
| Boiling Point: | 343.559 °C at 760 mmHg |
| Flash Point: | 161.579 °C |
| Solubility: | Insoluble in water |
| Appearance: | light brown crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 38.69000 |
| LogP: | 1.69140 |
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Specification
The Phenol,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with CAS registry number 214360-76-6, has the systematic name of 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol. This chemical belongs to the following product categories: (1)Boronic acids; (2)B (Classes of Boron Compounds); (3)Boronic Acids Esters. This chemical is a kind of light brown crystalline powder. And it should be stored in the refrigerator.
Physical properties of Phenol,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-: (1)#H bond acceptors: 3; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.514; (6)Molar Refractivity: 60.98 cm3; (7)Molar Volume: 202.3 cm3; (8)Polarizability: 24.17×10-24cm3; (9)Surface Tension: 36.4 dyne/cm; (10)Density: 1.08 g/cm3; (11)Flash Point: 161.6 °C; (12)Enthalpy of Vaporization: 61.07 kJ/mol; (13)Boiling Point: 343.6 °C at 760 mmHg; (14)Vapour Pressure: 3.51E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Phenol,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O1B(OC(C)(C)C1(C)C)c2cccc(O)c2
(2)InChI: InChI=1/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3
(3)InChIKey: MUKIFYQKIZOYKT-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-6-5-7-10(14)8-9/h5-8,14H,1-4H3
(5)Std. InChIKey: MUKIFYQKIZOYKT-UHFFFAOYSA-N