5-Methoxypyridine-3-boronic acid supplier

Name
5-Methoxypyridine-3-boronic acid
EINECS 640-469-4
CAS No. 850991-69-4
Article Data2
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₆H₈BNO₃
Boiling Point 356.2 °C at 760 mmHg
Molecular Weight 152.945
Flash Point 169.2 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (5-methoxy-3-pyridinyl)- (9CI);(3-Methoxypyridin-5-yl)boronic acid;(5-Methoxy-3-pyridinyl)boronic acid;3-Methoxypyridine-5-boronic acid;
PSA 62.58000
LogP -1.23000

5-Methoxypyridine-3-boronic acid Specification

The systematic name of 5-Methoxypyridine-3-boronic acid is (5-methoxypyridin-3-yl)boronic acid. With the CAS registry number 850991-69-4, it is also named as Boronic acid,B-(5-methoxy-3-pyridinyl)-. The product's categories are Blocks; Boronic Acids; Pyridines; Organoborons; Pyridine. In addition, its molecular formula is C₆H₈BNO₃ and molecular weight is 152.94.

The other characteristics of 5-Methoxypyridine-3-boronic acid can be summarized as: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): -1.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.42; (8)ACD/KOC (pH 7.4): 1; (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: 169.2 °C; (20)Enthalpy of Vaporization: 63.47 kJ/mol; (21)Boiling Point: 356.2 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O(c1cc(B(O)O)cnc1)C
(2)InChI: InChI=1/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(3)InChIKey: ISDFOFZTZUILPE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H8BNO3/c1-11-6-2-5(7(9)10)3-8-4-6/h2-4,9-10H,1H3
(5)Std. InChIKey: ISDFOFZTZUILPE-UHFFFAOYSA-N

Product Name

5-Methoxypyridine-3-boronic acid

5-Methoxypyridine-3-boronic acid Specification

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