CAS No.129485-83-2,3,5-DI(2-PYRIDYL)PYRAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129485-83-2
Name:	3,5-DI(2-PYRIDYL)PYRAZOLE
Article Data:	5

Formula:	C₁₃H₁₀N₄
Molecular Weight:	222.249
Synonyms:	3,5-Bis(2-pyridyl)pyrazole;
Density:	1.248 g/cm³
Melting Point:	188 °C
Boiling Point:	476.5 °C at 760 mmHg
Flash Point:	270.3 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	54.46000
LogP:	2.53370

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Specification

The Pyridine, 2, 2'-(1H-pyrazole-3, 5-diyl)bis-, with the CAS registry number 129485-83-2, is also known as 3, 5-Bis(2-pyridyl)pyrazole. This chemical's molecular formula is C₁₃H₁₀N₄ and molecular weight is 222.25. What's more, its systematic name is 2, 2'-(1H-Pyrazole-3, 5-diyl)dipyridine.

Physical properties about Pyridine, 2, 2'-(1H-pyrazole-3, 5-diyl)bis- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.31; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 5.52; (6)ACD/BCF (pH 7.4): 5.83; (7)ACD/KOC (pH 5.5): 109.78; (8)ACD/KOC (pH 7.4): 116.01; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.6 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 64.14 cm³; (15)Molar Volume: 177.9 cm³; (16)Polarizability: 25.42×10^-24 cm³; (17)Surface Tension: 60.3 dyne/cm; (18)Density: 1.248 g/cm³; (19)Flash Point: 270.3 °C; (20)Enthalpy of Vaporization: 71.19 kJ/mol; (21)Boiling Point: 476.5 °C at 760 mmHg; (22)Vapour Pressure: 8.77E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1ccccc1c2cc(nn2)c3ncccc3
(2) InChI: InChI=1/C13H10N4/c1-3-7-14-10(5-1)12-9-13(17-16-12)11-6-2-4-8-15-11/h1-9H,(H,16,17)
(3) InChIKey: IMDRKCUYKQQEAC-UHFFFAOYAL