Name: 4-CYANO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE
SKU: 878194-91-3

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Basic Information

Molecular Structure:
CAS No.:	878194-91-3
Name:	4-CYANO-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)PYRIDINE
Article Data:	2

Formula:	C₁₂H₁₅BN₂O₂
Molecular Weight:	230.074
Synonyms:	3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isonicotinonitrile;4-Cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;4-Cyanopyridine-3-boronic acid pinacol ester;Isonicotinonitrile-3-boronic acid pinacol ester;
EINECS:	201-525-2
Density:	1.1 g/cm³
Melting Point:	84-88℃
Boiling Point:	365.5 °C at 760 mmHg
Flash Point:	174.9 °C
PSA:	55.14000
LogP:	1.25248

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Specification

The CAS registry number of 4-Pyridinecarbonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 878194-91-3. The IUPAC name is 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-4-carbonitrile. In addition, the formula is C₁₂H₁₅BN₂O₂ and the molecular weight is 230.0707.

Physical properties about 4-Pyridinecarbonitrile,3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- are: (1)#H bond acceptors: 4; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 55.14 Å²; (5)Index of Refraction: 1.506; (6)Molar Refractivity: 61.82 cm³; (7)Molar Volume: 207.8 cm³; (8)Polarizability: 24.5 ×10^-24cm³; (9)Surface Tension: 40.7 dyne/cm; (10)Density: 1.1 g/cm³; (11)Flash Point: 174.9 °C; (12)Enthalpy of Vaporization: 61.18 kJ/mol; (13)Boiling Point: 365.5 °C at 760 mmHg; (14)Vapour Pressure: 1.56E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc2ccncc2B1OC(C)(C)C(O1)(C)C
(2)InChI: InChI=1/C12H15BN2O2/c1-11(2)12(3,4)17-13(16-11)10-8-15-6-5-9(10)7-14/h5-6,8H,1-4H3
(3)InChIKey: DQQFRFWEPQBNEN-UHFFFAOYAF