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4-Isoquinolineboronic acid pinacol ester

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Name

4-Isoquinolineboronic acid pinacol ester

EINECS N/A
CAS No. 685103-98-4 Density 1.1 g/cm3
PSA 31.35000 LogP 2.53400
Solubility N/A Melting Point 98-102 °C(lit.)
Formula C15H18BNO2 Boiling Point 397.5 °C at 760 mmHg
Molecular Weight 255.124 Flash Point 194.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 685103-98-4 (4-Isoquinolineboronic acid pinacol ester) Hazard Symbols IrritantXi
Synonyms

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline;

 

4-Isoquinolineboronic acid pinacol ester Specification

This chemical is called 4-Isoquinolineboronic acid pinacol ester, and its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinoline. With the molecular formula of C15H18BNO2, its molecular weight is 255.12. The CAS registry number of this chemical is 685103-98-4, and its product categories are Heterocyclic Compounds; B (Classes of Boron Compounds); Boronic Acids Esters.

Other characteristics of the 4-Isoquinolineboronic acid pinacol ester can be summarised as followings: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 31.35 Å2; (5)Index of Refraction: 1.558; (6)Molar Refractivity: 74.81 cm3; (7)Molar Volume: 231.7 cm3; (8)Polarizability: 29.65×10-24cm3; (9)Surface Tension: 39.8 dyne/cm; (10)Density: 1.1 g/cm3; (11)Flash Point: 194.2 °C; (12)Enthalpy of Vaporization: 62.27 kJ/mol; (13)Boiling Point: 397.5 °C at 760 mmHg; (14)Vapour Pressure: 3.62E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O1B(OC(C)(C)C1(C)C)c3c2ccccc2cnc3
2.InChI: InChI=1/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)13-10-17-9-11-7-5-6-8-12(11)13/h5-10H,1-4H3
3.InChIKey: LOMKRPABAXIQJL-UHFFFAOYAE

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