CAS No.128143-88-4,2,6-BIS(2-PYRIDYL)-4(1H)-PYRIDONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	128143-88-4
Name:	2,6-BIS(2-PYRIDYL)-4(1H)-PYRIDONE
Article Data:	17

Formula:	C₁₅H₁₁N₃O
Molecular Weight:	249.27
Synonyms:	2,6-Bis(pyridin-2-yl)-4-pyridone;2,6-Bis(2-pyridyl)-1,4-dihydropyridin-4-one;2,6-Bis(2-pyridyl)-4(1H)-pyridone;2,6-Bis(2'-pyridyl)-4-pyridone;[2,2':6',2''-terpyridin]-4'-ol;
Density:	1.269 g/cm³
Melting Point:	168-170 °C(lit.)
Boiling Point:	505.5 °C at 760 mmHg
Flash Point:	259.5 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	58.64000
LogP:	2.49890

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Specification

This chemical is called [2,2':6',2''-Terpyridin]-4'(1'H)-one, and it can also be named as 2,6-Bis(2-pyridyl)-4(1H)-pyridone. With the molecular formula of C₁₅H₁₁N₃O, its molecular weight is 249.27. The CAS registry number of this chemical is 128143-88-4, and its product categories are Heterocyclic Compounds; C9 to C46; Heterocyclic Building Blocks; Pyridines. Additionally, the systematic name of this chemical is 2,2':6',2''-Terpyridin-4'(1'H)-one.

Other characteristics of the [2,2':6',2''-Terpyridin]-4'(1'H)-one can be summarised as follows: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.8; (4)ACD/LogD (pH 7.4): -2.28; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.09 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 70.8 cm³; (15)Molar Volume: 196.3 cm³; (16)Polarizability: 28.07×10^-24cm³; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.269 g/cm³; (19)Flash Point: 259.5 °C; (20)Enthalpy of Vaporization: 77.51 kJ/mol; (21)Boiling Point: 505.5 °C at 760 mmHg; (22)Vapour Pressure: 2.43E-10 mmHg at 25°C.

Production method of this chemical: The [2,2':6',2''-Terpyridin]-4'(1'H)-one could be obtained by the reactant of 1,5-Di-pyridin-2-yl-pentane-1,3,5-trione. This reaction needs the reagent of NH₄OAc, and the solvent of ethanol. The yield is 80 %. In addition, this reaction should be taken for 6 hours. The other condition is heating.

The [2,2':6',2''-Terpyridin]-4'(1'H)-one could be obtained by the reactant of 1,5-Di-pyridin-2-yl-pentane-1,3,5-trione.

Uses of this chemical: The 4'-Chloro-[2,2';6',2'']terpyridine could be obtained by the reactant of [2,2':6',2''-Terpyridin]-4'(1'H)-one. This reaction needs the reagents of PCl₅ and POCl₃. The yield is 62 %. This reaction should be taken for 12 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: c1ccnc(c1)c2cc(=O)cc([nH]2)c3ccccn3
2.InChI: InChI=1/C15H11N3O/c19-11-9-14(12-5-1-3-7-16-12)18-15(10-11)13-6-2-4-8-17-13/h1-10H,(H,18,19)
3.InChIKey: HRORSVNZQWCZTD-UHFFFAOYAK