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3-Acetylphenylboronic acid pinacol ester

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Name

3-Acetylphenylboronic acid pinacol ester

EINECS N/A
CAS No. 214360-49-3 Density 1.04 g/cm3
PSA 35.53000 LogP 2.18840
Solubility N/A Melting Point 51-52 °C
Formula C14H19BO3 Boiling Point 362.5 °C at 760 mmHg
Molecular Weight 246.114 Flash Point 173.1 °C
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes 22
Molecular Structure Molecular Structure of 214360-49-3 (3-ACETYLPHENYLBORONIC ACID, PINACOL ESTER) Hazard Symbols Xn
Synonyms

2-(3-Acetylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;

Article Data 26

3-Acetylphenylboronic acid pinacol ester 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

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