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1,3,2-Dioxaborolane,2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl- (475250-52-3)

Identification
Name:1,3,2-Dioxaborolane,2-[(4-methoxyphenyl)methyl]-4,4,5,5-tetramethyl-
Synonyms:2-(4-Methoxybenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:475250-52-3
Molecular Formula: C14H21 B O3
Molecular Weight: 248.13
InChI: InChI=1/C14H23BO4/c1-13(2,16)14(3,4)19-15(17)10-11-6-8-12(18-5)9-7-11/h6-9,16-17H,10H2,1-5H3
Molecular Structure: (C14H21BO3) 2-(4-Methoxybenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Properties
Flash Point: 142 ºC
Boiling Point: 311 ºC
Density:1.01
Refractive index:1.497
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

Flash Point: 142 ºC
Safety Data
 

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