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