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CAS No.: | 754226-40-9 |
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Name: | 4-BENZYLOXYPHENYLBORONIC ACID, PINACOL ESTER |
Article Data: | 19 |
Cas Database | |
Molecular Structure: | |
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Formula: | C19H23BO3 |
Molecular Weight: | 310.201 |
Synonyms: | 2-[4-(benzyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; |
Density: | 1.08 g/cm3 |
Melting Point: | 81-85 °C(lit.) |
Boiling Point: | 428.5 °C at 760 mmHg |
Flash Point: | 213 °C |
Hazard Symbols: |
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The 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)phenyl]- has the CAS registry number 754226-40-9. It belongs to the product categories of blocks; BoronicAcids. This chemical's molecular formula is C19H23BO3 and molecular weight is 310.2. What's more, its systematic name is 2-[4-(benzyloxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. It should be sealed and stored in a cool and dry place.
Physical properties of 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(phenylmethoxy)phenyl]- are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 90.53 cm3; (7)Molar Volume: 286.7 cm3; (8)Polarizability: 35.89×10-24 cm3; (9)Surface Tension: 38.5 dyne/cm; (10)Density: 1.08 g/cm3; (11)Flash Point: 213 °C; (12)Enthalpy of Vaporization: 65.73 kJ/mol; (13)Boiling Point: 428.5 °C at 760 mmHg; (14)Vapour Pressure: 3.76E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O1B(OC(C)(C)C1(C)C)c3ccc(OCc2ccccc2)cc3
(2)InChI: InChI=1/C19H23BO3/c1-18(2)19(3,4)23-20(22-18)16-10-12-17(13-11-16)21-14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3
(3)InChIKey: KMKOKPUXZWBMEI-UHFFFAOYAZ