CAS No.874290-89-8,3-CYANOPYRIDIN-4-YLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	874290-89-8
Name:	3-CYANOPYRIDIN-4-YLBORONIC ACID
Article Data:	2

Formula:	C₆H₅BN₂O₂
Molecular Weight:	147.929
Synonyms:	Boronicacid, (3-cyano-4-pyridinyl)- (9CI);
Density:	1.34 g/cm³
Boiling Point:	407.9 °C at 760 mmHg
Flash Point:	200.5 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	77.14000
LogP:	-1.36692

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Specification

The 3-Cyanopyridine-4-boronic acid, with CAS registry number 874290-89-8, has the systematic name of (3-cyano-4-pyridyl)boronic acid. Besides this, it is also called boronic acid, B-(3-cyano-4-pyridinyl)-. And the chemical formula of this chemical is C₆H₅BN₂O_2.Its molecular weight is 147.93.

Physical properties of 3-Cyanopyridine-4-boronic acid: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 77.14 Å²; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 35.65 cm³; (8)Molar Volume: 109.9 cm³; (9)Polarizability: 14.13×10^-24cm³; (10)Surface Tension: 67.2 dyne/cm; (11)Enthalpy of Vaporization: 69.58 kJ/mol; (12)Vapour Pressure: 2.19E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cnccc1B(O)O
(2)InChI: InChI=1/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
(3)InChIKey: BIFLCXDWWOPWRD-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H5BN2O2/c8-3-5-4-9-2-1-6(5)7(10)11/h1-2,4,10-11H
(5)Std. InChIKey: BIFLCXDWWOPWRD-UHFFFAOYSA-N