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2-Methoxypyridine-3-boronic acid

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Name

2-Methoxypyridine-3-boronic acid

EINECS -0
CAS No. 163105-90-6 Density 1.24 g/cm3
PSA 62.58000 LogP -1.23000
Solubility N/A Melting Point 136-138 °C
Formula C6H8BNO3 Boiling Point 326.4 °C at 760 mmHg
Molecular Weight 152.945 Flash Point 151.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 163105-90-6 (2-Methoxypyridine-3-boronic acid) Hazard Symbols IrritantXi
Synonyms

2-Methoxypyridine-3-boronic acid hydrate;2-Methoxypyridin-3-ylboronic acid;2-Methoxy-3-pyridineboronic acid;2-Methoxy-3-pyridylboronic acid;(2-Methoxy-3-pyridinyl)-boronic acid;(2-Methoxypyridin-3-yl)boronic acid;2-Methoxy-3-pyridinyl boronic acid;2-methoxypyridin-3-ylboronic acid;Boronic acid, B-(2-methoxy-3-pyridinyl)-;

Article Data 6

2-Methoxypyridine-3-boronic acid Specification

The 2-Methoxypyridine-3-boronic acid with CAS registry number of 163105-90-6 belongs to the classes of Pyridine; Boron, Nitrile, Thio, & TM-Cpds; Heterocycles; Boronic Acids & Esters; Pyridines; Heterocyclic Compounds; Organoborons; Alkoxy; Boronic Acids & Esters; Boronic Acid; Boronic Acids; Boronic Acids and Derivatives; Heteroaryl. The IUPAC name is (2-methoxypyridin-3-yl)boronic acid. In addition, the formula is C6H8BNO3 and the molecular weight is 152.94362. It should be stored in a airtight, cool and dry environment.

Physical properties about 2-Methoxypyridine-3-boronic acid are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1.57; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 44.97; (8)ACD/KOC (pH 7.4): 2.59; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 40.58 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 37.45 cm3; (15)Molar Volume: 122.4 cm3; (16)Polarizability: 14.84 ×10-24cm3; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 151.2 °C; (20)Enthalpy of Vaporization: 60.02 kJ/mol; (21)Boiling Point: 326.4 °C at 760 mmHg; (22)Vapour Pressure: 8.78E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ncccc1B(O)O)C
(2)InChI: InChI=1/C6H8BNO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4,9-10H,1H3
(3)InChIKey: NVOLYUXUHWBCRJ-UHFFFAOYAR

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