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CAS No.: | 579476-63-4 |
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Name: | 2-Methylpyridine-4-boronic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C6H8BNO2 |
Molecular Weight: | 136.946 |
Synonyms: | Boronicacid, (2-methyl-4-pyridinyl)- (9CI);(2-Methyl-4-pyridinyl)boronic acid;(2-Methyl-4-pyridyl)boronic acid;2-Methylpyridine-4-boronic acid; |
Density: | 1.18 g/cm3 |
Boiling Point: | 311.2 °C at 760 mmHg |
Flash Point: | 142 °C |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 37/38-41 |
Safety: | 26-39 |
PSA: | 53.35000 |
LogP: | -0.93020 |
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The 2-Methylpyridine-4-boronic acid, with the CAS registry number 579476-63-4, is also known as 2-Picoline-4-boronic acid. It belongs to the product categories of Pyridine; Boronic Acid Series; Pyridines; Boronic Acid. This chemical's molecular formula is C6H8BNO2 and molecular weight is 136.94422. Its IUPAC name is called (2-methylpyridin-4-yl)boronic acid. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes and may cause damage to health. This chemical is white to light yellow crystal powder.
Physical properties of 2-Methylpyridine-4-boronic acid: (1)ACD/LogP: 0.56; (2)ACD/LogD (pH 5.5): 0.5; (3)ACD/LogD (pH 7.4): 0.21; (4)ACD/BCF (pH 5.5): 1.38; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 42.43; (7)ACD/KOC (pH 7.4): 21.52; (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: 142 °C; (17)Enthalpy of Vaporization: 58.29 kJ/mol; (18)Boiling Point: 311.2 °C at 760 mmHg; (19)Vapour Pressure: 0.000245 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC(=NC=C1)C)(O)O
(2)InChI: InChI=1S/C6H8BNO2/c1-5-4-6(7(9)10)2-3-8-5/h2-4,9-10H,1H3
(3)InChIKey: UFYBTLOLWSABAU-UHFFFAOYSA-N