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CAS No.: | 478375-42-7 |
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Name: | Methyl 2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetate |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C15H21BO4 |
Molecular Weight: | 276.14 |
Synonyms: | [3-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]aceticacid methyl ester; |
Density: | 1.075 g/cm3 |
Boiling Point: | 372.043 °C at 760 mmHg |
Flash Point: | 178.806 °C |
PSA: | 44.76000 |
LogP: | 1.70130 |
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The Benzeneaceticacid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester, with the CAS registry number 478375-42-7, is also known as 3-(2-Methoxy-2-oxoethyl)phenylboronic acid, pinacol ester. This chemical's molecular formula is C15H21BO4 and molecular weight is 276.15. What's more, both its IUPAC name and systematic name are the same which is called Methyl 2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate.
Physical properties about Benzeneaceticacid, 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 44.76 Å2; (5)Index of Refraction: 1.497; (6)Molar Refractivity: 75.2 cm3; (7)Molar Volume: 256.928 cm3; (8)Polarizability: 29.812×10-24cm3; (9)Surface Tension: 35.19 dyne/cm; (10)Density: 1.075 g/cm3; (11)Flash Point: 178.806 °C; (12)Enthalpy of Vaporization: 61.914 kJ/mol; (13)Boiling Point: 372.043 °C at 760 mmHg; (14)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C)OB(OC1(C)C)c2cccc(CC(=O)OC)c2
(2) InChI: InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)12-8-6-7-11(9-12)10-13(17)18-5/h6-9H,10H2,1-5H3
(3) InChIKey: BLPDNEGFSINGPV-UHFFFAOYSA-N