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4-Methoxybenzylboronic acid pinacol ester

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Name

4-Methoxybenzylboronic acid pinacol ester

EINECS N/A
CAS No. 475250-52-3 Density 1.018 g/cm3
PSA 27.69000 LogP 3.13550
Solubility N/A Melting Point N/A
Formula C14H21BO3 Boiling Point 311.191 °C at 760 mmHg
Molecular Weight 248.13 Flash Point 142.003 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 475250-52-3 (4-Methoxybenzylboronic acid pinacol ester) Hazard Symbols N/A
Synonyms

4-Methoxybenzylboronic acid pinacol ester;

Article Data 32

4-Methoxybenzylboronic acid pinacol ester Specification

The CAS register number of 4-Methoxybenzylboronic acid pinacol ester is 475250-52-3. It also can be called as 1,3,2-Dioxaborolane,2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl- and the systematic name about this chemical is 2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane. The molecular formula about this chemical is C14H21BO3 and the molecular weight is 248.13.

Physical properties about 4-Methoxybenzylboronic acid pinacol ester are: (1)#H bond acceptors: 3; (2)#Freely Rotating Bonds: 3; (3)Polar Surface Area: 27.69Å2; (4)Index of Refraction: 1.49; (5)Molar Refractivity: 70.453 cm3; (6)Molar Volume: 243.689 cm3; (7)Polarizability: 27.93x10-24cm3; (8)Surface Tension: 32.213 dyne/cm; (9)Enthalpy of Vaporization: 53.007 kJ/mol; (10)Boiling Point: 311.191 °C at 760 mmHg; (11)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)Cc2ccc(cc2)OC
(2)InChI: InChI=1/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-6-8-12(16-5)9-7-11/h6-9H,10H2,1-5H3
(3)InChIKey: HPNLRRQVSZVKHY-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C14H21BO3/c1-13(2)14(3,4)18-15(17-13)10-11-6-8-12(16-5)9-7-11/h6-9H,10H2,1-5H3
(5)Std. InChIKey: HPNLRRQVSZVKHY-UHFFFAOYSA-N

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