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- 4-Cyanopyridine-3-boronic acid pinacol ester
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Cas Database |
| Name |
4-Cyanopyridine-3-boronic acid pinacol ester |
EINECS | 201-525-2 |
| CAS No. | 878194-91-3 | Density | 1.1 g/cm3 |
| PSA | 55.14000 | LogP | 1.25248 |
| Solubility | N/A | Melting Point |
84-88℃ |
| Formula | C12H15BN2O2 | Boiling Point | 365.5 °C at 760 mmHg |
| Molecular Weight | 230.074 | Flash Point | 174.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Article Data | 2 |
4-Cyanopyridine-3-boronic acid pinacol ester 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
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