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1,3,2-Dioxaborolane,2-[(4-bromophenyl)methyl]-4,4,5,5-tetramethyl- (477841-90-0)

Identification
Name:1,3,2-Dioxaborolane,2-[(4-bromophenyl)methyl]-4,4,5,5-tetramethyl-
Synonyms:4-Bromobenzylboronic acid pinacol ester;2-(4-Bromobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
CAS:477841-90-0
Molecular Formula: C13H18BBrO2
Molecular Weight: 297.00
Molecular Structure: (C13H18BBrO2) 4-Bromobenzylboronic acid pinacol ester;2-(4-Bromobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;
Properties
Flash Point: 148 ºC
Boiling Point: 321 ºC
Density:1.26
Specification:

The cas register number of 4-Bromobenzylboronic acid pinacol ester is 477841-90-0. It also can be called as 2-(4-Bromobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane and the Systematic name about this chemical is 2-(4-bromobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Physical properties about 4-Bromobenzylboronic acid pinacol ester are: (1)#H bond acceptors: 2 ; (2)#Freely Rotating Bonds: 2; (3)Polar Surface Area: 18.46Å2; (4)Index of Refraction: 1.524; (5)Molar Refractivity: 71.809 cm3; (6)Molar Volume: 234.539 cm3; (7)Polarizability: 28.467x10-24cm3; (8)Surface Tension: 35.624 dyne/cm; (9)Enthalpy of Vaporization: 54.04 kJ/mol; (10)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc(cc1)CB2OC(C)(C)C(O2)(C)C
(2)InChI: InChI=1/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
(3)InChIKey: GRYKRVPNXCGBIT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3
(5)Std. InChIKey: GRYKRVPNXCGBIT-UHFFFAOYSA-N

Flash Point: 148 ºC
Safety Data
 

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