5-Cyanopyridine-3-boronic acid supplier

Name
5-CYANO-3-PYRIDINYL BORONIC ACID
EINECS
CAS No. 497147-93-0
Article Data3
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point
Formula C₆H₅BN₂O₂
Boiling Point 375.9 °C at 760 mmHg
Molecular Weight 147.929
Flash Point 181.1 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms Boronicacid, (5-cyano-3-pyridinyl)- (9CI);(5-Cyanopyridin-3-yl)boronic acid;
PSA 77.14000
LogP -1.36692

5-Cyanopyridine-3-boronic acid Specification

The Boronic acid, B-(5-cyano-3-pyridinyl)-, with the CAS registry number 497147-93-0, has the systematic name of (5-Cyanopyridin-3-yl)boronic acid. It belongs to the product category of Pyridine. And the molecular formula of the chemical is C₆H₅BN₂O₂.

The characteristics of Boronic acid, B-(5-cyano-3-pyridinyl)- are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.76; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 77.14 Å²; (10)Index of Refraction: 1.561; (11)Molar Refractivity: 35.65 cm³; (12)Molar Volume: 109.9 cm³; (13)Polarizability: 14.13×10^-24cm³; (14)Surface Tension: 67.2 dyne/cm; (15)Density: 1.34 g/cm³; (16)Flash Point: 181.1 °C; (17)Enthalpy of Vaporization: 65.77 kJ/mol; (18)Boiling Point: 375.9 °C at 760 mmHg; (19)Vapour Pressure: 2.56E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: B(c1cc(cnc1)C#N)(O)O
(2)InChI: InChI=1/C6H5BN2O2/c8-2-5-1-6(7(10)11)4-9-3-5/h1,3-4,10-11H
(3)InChIKey: CYEXXDYQJPRMIQ-UHFFFAOYAJ

Product Name

5-CYANO-3-PYRIDINYL BORONIC ACID

5-Cyanopyridine-3-boronic acid Specification

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