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CAS No.: | 659742-21-9 |
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Name: | 6-Methylpyridine-3-boronic Acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H8BNO2 |
Molecular Weight: | 136.946 |
Synonyms: | 2-methylpyridine-5-boronic acid;Boronicacid, (6-methyl-3-pyridinyl)- (9CI);(2-Methylpyridin-5-yl)boronic acid;(6-Methyl-3-pyridinyl)boronic acid;2-Picoline-5-boronic acid; |
EINECS: | 689-887-9 |
Density: | 1.18 g/cm3 |
Boiling Point: | 294.7 °C at 760 mmHg |
Flash Point: | 132 °C |
Appearance: | white or yellow crystal |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 53.35000 |
LogP: | -0.93020 |
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This chemical is called Boronic acid, B-(6-methyl-3-pyridinyl)-, and its systematic name is (6-methyl-3-pyridyl)boronic acid. With the molecular formula of C6H8BNO2, its molecular weight is 136.94. The CAS registry number of this chemical is 659742-21-9.
Other characteristics of the Boronic acid, B-(6-methyl-3-pyridinyl)- can be summarised as followings: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.161; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 25.758; (7)ACD/KOC (pH 7.4): 2.569; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.35 Å2; (12)Index of Refraction: 1.528; (13)Molar Refractivity: 35.71 cm3; (14)Molar Volume: 116.05 cm3; (15)Polarizability: 14.157×10-24cm3; (16)Surface Tension: 48.046 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 132.002 °C; (19)Enthalpy of Vaporization: 56.426 kJ/mol; (20)Boiling Point: 294.654 °C at 760 mmHg; (21)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B(c1ccc(nc1)C)(O)O
2.InChI: InChI=1/C6H8BNO2/c1-5-2-3-6(4-8-5)7(9)10/h2-4,9-10H,1H3
3.InChIKey: MZUSCPDSQJSBSY-UHFFFAOYAM