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4-Bromobenzylboronic acid pinacol ester

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Name

4-Bromobenzylboronic acid pinacol ester

EINECS N/A
CAS No. 477841-90-0 Density 1.266 g/cm3
PSA 18.46000 LogP 3.88940
Solubility N/A Melting Point N/A
Formula C13H18BBrO2 Boiling Point 321.067 °C at 760 mmHg
Molecular Weight 297 Flash Point 147.976 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 477841-90-0 (4-Bromobenzylboronic acid pinacol ester) Hazard Symbols N/A
Synonyms

4-Bromobenzylboronic acid pinacol ester;2-(4-Bromobenzyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;

Article Data 14

4-Bromobenzylboronic acid pinacol ester 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

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