CAS No.214360-48-2,2-CYANOPHENYLBORONIC ACID, PINACOL ESTER Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	214360-48-2
Name:	2-CYANOPHENYLBORONIC ACID, PINACOL ESTER
Article Data:	26

Formula:	C₁₃H₁₆BNO₂
Molecular Weight:	229.087
Synonyms:	2-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)benzonitrile;
Density:	1.06g/cm³
Melting Point:	88-90°C
Boiling Point:	357.1 °C at 760 mmHg
Flash Point:	169.8 °C
Hazard Symbols:	Xi
PSA:	42.25000
LogP:	1.85748

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Specification

The Benzonitrile,2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, with CAS registry number 214360-48-2, has the systematic name of 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile. Besides this, it is also called 2-Cyanophenylboronic acid, pinacol ester. And the chemical formula of this chemical is C₁₃H₁₆BNO₂.

Physical properties of Benzonitrile,2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 42.25 Å²; (5)Index of Refraction: 1.507; (6)Molar Refractivity: 64.02 cm³; (7)Molar Volume: 214.9 cm³; (8)Polarizability: 25.38×10^-24cm³; (9)Surface Tension: 36.8 dyne/cm; (10)Density: 1.06 g/cm³; (11)Flash Point: 169.8 °C; (12)Enthalpy of Vaporization: 60.25 kJ/mol; (13)Boiling Point: 357.1 °C at 760 mmHg; (14)Vapour Pressure: 2.79E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccccc2B1OC(C)(C)C(O1)(C)C
(2)InChI: InChI=1/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3
(3)InChIKey: SKQNWSBNAIOCOC-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C13H16BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,1-4H3
(5)Std. InChIKey: SKQNWSBNAIOCOC-UHFFFAOYSA-N