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2-Benzyloxypyridine-5-boronic acid pinacol ester

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Name

2-Benzyloxypyridine-5-boronic acid pinacol ester

EINECS N/A
CAS No. 832735-54-3 Density 1.11 g/cm3
PSA 40.58000 LogP 2.95980
Solubility N/A Melting Point 138-142°C
Formula C18H22BNO3 Boiling Point 429.6 °C at 760 mmHg
Molecular Weight 311.189 Flash Point 213.6 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 832735-54-3 (2-BENZYLOXYPYRIDINE-5-BORONIC ACID, PINACOL ESTER) Hazard Symbols N/A
Synonyms

2-(benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;pyridine, 2-(phenylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-;

Article Data 2

2-Benzyloxypyridine-5-boronic acid pinacol ester Specification

The Pyridine,2-(phenylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with the CAS registry number 832735-54-3, has the systematic name of 2-(benzyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine. It belongs to the product category of Heterocyclic Compounds. And the molecular formula of the chemical is C18H22BNO3.

The characteristics of Pyridine,2-(phenylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are as followings: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 40.58 Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 88.33 cm3; (7)Molar Volume: 279.6 cm3; (8)Polarizability: 35.01×10-24cm3; (9)Surface Tension: 41.5 dyne/cm; (10)Density: 1.11 g/cm3; (11)Flash Point: 213.6 °C; (12)Enthalpy of Vaporization: 65.84 kJ/mol; (13)Boiling Point: 429.6 °C at 760 mmHg; (14)Vapour Pressure: 3.47E-07 mmHg at 25°C. 

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC1(C)OB(OC1(C)C)c3ccc(OCc2ccccc2)nc3
(2)InChI: InChI=1/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(20-12-15)21-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
(3)InChIKey: MXNLRVZITPPZHT-UHFFFAOYAJ

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