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CAS No.: | 899436-71-6 |
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Name: | 2-METHYLPYRIDINE-3-BORONIC ACID |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H8BNO2 |
Molecular Weight: | 136.946 |
Synonyms: | Boronicacid, (2-methyl-3-pyridinyl)- (9CI);(2-Methylpyridin-3-yl)boronic acid;2-Methylpyridin-3-ylboronic acid;2-Picoline-3-boronic acid; |
Density: | 1.18 g/cm3 |
Boiling Point: | 303.6 °C at 760 mmHg |
Flash Point: | 137.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-41-37/38 |
Safety: | 26-39 |
PSA: | 53.35000 |
LogP: | -0.93020 |
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The Boronic acid,B-(2-methyl-3-pyridinyl)-, with the CAS registry number 899436-71-6, is also known as 2-Picoline-3-boronic acid. It belongs to the product categories of Blocks; Boronic Acids; Pyridines; Boronic acid. This chemical's molecular formula is C6H8BNO2 and molecular weight is 136.94. What's more, its systematic name is (2-methylpyridin-3-yl)boronic acid.
Physical properties of Boronic acid,B-(2-methyl-3-pyridinyl)- are: (1)ACD/LogP: 0.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.39; (4)ACD/LogD (pH 7.4): ; (5)ACD/BCF (pH 5.5): 1.07; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.92; (8)ACD/KOC (pH 7.4): 2.43; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 35.71 cm3; (15)Molar Volume: 116 cm3; (16)Polarizability: 14.15×10-24cm3; (17)Surface Tension: 48 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 137.4 °C; (20)Enthalpy of Vaporization: 57.43 kJ/mol; (21)Boiling Point: 303.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000405 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OB(O)c1cccnc1C
(2)Std. InChI: InChI=1S/C6H8BNO2/c1-5-6(7(9)10)3-2-4-8-5/h2-4,9-10H,1H3
(3)Std. InChIKey: TWKMYNQPIICYNV-UHFFFAOYSA-N