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CAS No.: | 850567-47-4 |
---|---|
Name: | N-METHYLPYRROLE-2-BORONIC ACID, PINACOL ESTER |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C11H18BNO2 |
Molecular Weight: | 207.08 |
Synonyms: | 1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole;1-Methyl-1H-pyrrole-2-boronic acid, pinacol ester;N-Methylpyrrole-2-boronic acid, pinacol ester; |
Density: | 0.99 g/cm3 |
Melting Point: | 49-50 °C |
Boiling Point: | 296.9 °C at 760 mmHg |
Flash Point: | 133.4 °C |
PSA: | 23.39000 |
LogP: | 1.32430 |
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The systematic name of 1H-Pyrrole,1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- is 1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrole. With the CAS registry number 850567-47-4, it is also named as N-Methylpyrrole-2-boronic acid, pinacol ester. The product's categories are Blocks; Boronic Acids; Heterocycles. It should be stored below -20°C. In addition, its molecular formula is C11H18BNO2 and its molecular weight is 207.08.
The other characteristics of 1H-Pyrrole,1-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- can be summarized as: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 23.39 Å2; (5)Index of Refraction: 1.487; (6)Molar Refractivity: 59.84 cm3; (7)Molar Volume: 207.7 cm3; (8)Polarizability: 23.72×10-24cm3; (9)Surface Tension: 30 dyne/cm; (10)Density: 0.99 g/cm3; (11)Flash Point: 133.4 °C; (12)Melting Point: 49-50 °C; (13)Enthalpy of Vaporization: 51.53 kJ/mol; (14)Boiling Point: 296.9 °C at 760 mmHg; (15)Vapour Pressure: 0.00246 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2cccn2C
(2)InChI: InChI=1/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3
(3)InChIKey: OEQQEXKRORJZPR-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C11H18BNO2/c1-10(2)11(3,4)15-12(14-10)9-7-6-8-13(9)5/h6-8H,1-5H3
(5)Std. InChIKey: OEQQEXKRORJZPR-UHFFFAOYSA-N