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| CAS No.: | 930303-26-7 |
|---|---|
| Name: | 3-Methylpyridine-2-boronic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C6H8BNO2 |
| Molecular Weight: | 136.946 |
| Synonyms: | 3-Methyl-2-pyridineboronic acid; |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 323.9 °C at 760 mmHg |
| Flash Point: | 149.7 °C |
| PSA: | 53.35000 |
| LogP: | -0.93020 |
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Specification
The Boronicacid, B-(3-methyl-2-pyridinyl)-, with the CAS registry number 930303-26-7, is also known as 3-Methyl-2-pyridineboronic acid. It belongs to the product categories of Boronic Acids & Esters; Pyridines. This chemical's molecular formula is C6H8BNO2 and molecular weight is 136.94. Its systematic name is called (3-methylpyridin-2-yl)boronic acid.
Physical properties of Boronicacid, B-(3-methyl-2-pyridinyl)-: (1)ACD/LogP: 0.56; (2)ACD/LogD (pH 5.5): 0.53; (3)ACD/LogD (pH 7.4): 0.11; (4)ACD/BCF (pH 5.5): 1.48; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 45.48; (7)ACD/KOC (pH 7.4): 17.24; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.527; (12)Molar Refractivity: 35.71 cm3; (13)Molar Volume: 116 cm3; (14)Surface Tension: 48 dyne/cm; (15)Density: 1.18 g/cm3; (16)Flash Point: 149.7 °C; (17)Enthalpy of Vaporization: 59.74 kJ/mol; (18)Boiling Point: 323.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000104 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cccnc1B(O)O
(2)InChI: InChI=1/C6H8BNO2/c1-5-3-2-4-8-6(5)7(9)10/h2-4,9-10H,1H3
(3)InChIKey: RXEAFZXYIBHWII-UHFFFAOYAE