6-(Hydroxymethyl)pyridine-3-boronic acid supplier

Name
2-(HYDROXYMETHYL)PYRIDINE-5-BORONIC ACID
EINECS
CAS No. 913835-98-0
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₆H₈BNO₃
Boiling Point 384 °C at 760 mmHg
Molecular Weight 152.945
Flash Point 186.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, [6-(hydroxymethyl)-3-pyridinyl]- (9CI);[6-(Hydroxymethyl)pyridin-3-yl]boronic acid;
PSA 73.58000
LogP -1.74630

6-(Hydroxymethyl)pyridine-3-boronic acid Specification

The Boronicacid, B-[6-(hydroxymethyl)-3-pyridinyl]- with CAS registry number 913835-98-0 belongs to the classes of Blocks; Boronic Acids; Pyridines. The IUPAC name is [6-(hydroxymethyl)-3-pyridyl]boronic acid. In addition, the formula is C₆H₈BNO₃and the molecular weight is 152.94.

Physical properties of Boronicacid, B-[6-(hydroxymethyl)-3-pyridinyl]-: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 3; (4)#Freely Rotating Bonds: 5; (5)Polar Surface Area: 73.58 Å²; (6)Index of Refraction: 1.568; (7)Molar Refractivity: 37.24 cm³; (8)Molar Volume: 113.7 cm³; (9)Polarizability: 14.76 ×10^-24cm³; (10)Surface Tension: 64.7 dyne/cm; (11)Density: 1.34 g/cm³; (12)Flash Point: 186.1 °C; (13)Enthalpy of Vaporization: 66.73 kJ/mol; (14)Boiling Point: 384 °C at 760 mmHg; (15)Vapour Pressure: 1.39E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1ccc(cn1)B(O)O
(2)InChI: InChI=1/C6H8BNO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9-11H,4H2
(3)InChIKey: MSUQKXAJTUAESD-UHFFFAOYAH

Product Name

2-(HYDROXYMETHYL)PYRIDINE-5-BORONIC ACID

6-(Hydroxymethyl)pyridine-3-boronic acid Specification

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