CAS No.45887-08-9,3-(1H-PYRAZOL-3-YL)PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	45887-08-9
Name:	3-(1H-PYRAZOL-3-YL)PYRIDINE

Formula:	C₈H₇N₃
Molecular Weight:	145.164
Synonyms:	3-(1H-Pyrazol-3-yl)pyridine;3-(3-Pyridyl)pyrazole;3-(Pyrazol-3-yl)pyridine;
Density:	1.214 g/cm³
Melting Point:	57-60℃
Boiling Point:	376.5 °C at 760 mmHg
Flash Point:	187.8 °C
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	41.57000
LogP:	1.47170

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Specification

The Systematic name about this chemical is 3-(1H-pyrazol-5-yl)pyridine. The cas register number of 3-(1H-Pyrazol-3-yl)pyridine is 45887-08-9. It also can be called as pyridine, 3-(1H-pyrazol-3-yl)-.

Physical properties about 3-(1H-Pyrazol-3-yl)pyridine are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 2.21; (7)ACD/KOC (pH 5.5): 48.7; (8)ACD/KOC (pH 7.4): 61.43; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.71Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 41.46 cm³; (15)Molar Volume: 119.4 cm³; (16)Surface Tension: 57.1 dyne/cm; (17)Density: 1.214 g/cm³; (18)Flash Point: 187.8 °C; (19)Enthalpy of Vaporization: 59.97 kJ/mol; (20)Boiling Point: 376.5 °C at 760 mmHg; (21)Vapour Pressure: 1.56E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: n1cccc(c1)c2ccnn2
2.InChI: InChI=1/C8H7N3/c1-2-7(6-9-4-1)8-3-5-10-11-8/h1-6H,(H,10,11)
3.InChIKey: JJLMOUMOJSUSSX-UHFFFAOYAE
4.Std. InChI: InChI=1S/C8H7N3/c1-2-7(6-9-4-1)8-3-5-10-11-8/h1-6H,(H,10,11).