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| CAS No.: | 214360-49-3 |
|---|---|
| Name: | 3-ACETYLPHENYLBORONIC ACID, PINACOL ESTER |
| Article Data: | 26 |
| Molecular Structure: | |
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| Formula: | C14H19BO3 |
| Molecular Weight: | 246.114 |
| Synonyms: | 2-(3-Acetylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; |
| Density: | 1.04 g/cm3 |
| Melting Point: | 51-52 °C |
| Boiling Point: | 362.5 °C at 760 mmHg |
| Flash Point: | 173.1 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 35.53000 |
| LogP: | 2.18840 |
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Specification
The Ethanone,1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-, with the CAS registry number 214360-49-3, is also known as 2-(3-Acetylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. It belongs to the product category of Heterocyclic Compounds. This chemical's molecular formula is C14H19BO3 and molecular weight is 246.11. What's more, its IUPAC name and systematic name are the same which is called 1-[3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone.
Physical properties about Ethanone,1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 35.53 Å2; (5)Index of Refraction: 1.498; (6)Molar Refractivity: 68.82 cm3; (7)Molar Volume: 234.5 cm3; (8)Surface Tension: 33.7 dyne/cm; (9)Density: 1.04 g/cm3; (10)Flash Point: 173.1 °C; (11)Enthalpy of Vaporization: 60.85 kJ/mol; (12)Boiling Point: 362.5 °C at 760 mmHg; (13)Vapour Pressure: 1.92E-05 mmHg at 25 °C; (14)Melting point: 51-52 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c2cc(B1OC(C)(C)C(O1)(C)C)ccc2)C
(2) InChI: InChI=1/C14H19BO3/c1-10(16)11-7-6-8-12(9-11)15-17-13(2,3)14(4,5)18-15/h6-9H,1-5H3
(3) InChIKey: CMMASGVZWZQOEY-UHFFFAOYAK