CAS No.21202-42-6,4-(1H-IMIDAZOL-2-YL)-PYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21202-42-6
Name:	4-(1H-IMIDAZOL-2-YL)-PYRIDINE
Article Data:	17

Formula:	C₈H₇N₃
Molecular Weight:	145.164
Synonyms:	Pyridine,4-imidazol-2-yl- (8CI);2-(4-Pyridyl)imidazole;4-(1H-Imidazol-2-yl)pyridine;4-Imidazol-2-ylpyridine;NSC 245206;
Density:	1.214 g/cm³
Melting Point:	210-211 °C(Solv: water (7732-18-5))
Boiling Point:	395.1°C at 760mmHg
Flash Point:	198.7°C
PSA:	41.57000
LogP:	1.47170

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Specification

This chemical is called Pyridine,4-(1H-imidazol-2-yl)-, and its systematic name is 4-(1H-imidazol-2-yl)pyridine. With the molecular formula of C₈H₇N₃, its molecular weight is 145.16. The CAS registry number of the chemical is 21202-42-6.

Other characteristics of Pyridine,4-(1H-imidazol-2-yl)- can be summarised as followings: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.56; (4)ACD/LogD (pH 7.4): 0.62; (5)ACD/BCF (pH 5.5): 1.51; (6)ACD/BCF (pH 7.4): 1.74; (7)ACD/KOC (pH 5.5): 45.01; (8)ACD/KOC (pH 7.4): 51.62; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 30.71 Å²; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 41.46 cm³; (15)Molar Volume: 119.4 cm³; (16)Polarizability: 16.43×10^-24cm³; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.214 g/cm³; (19)Flash Point: 198.7 °C; (20)Enthalpy of Vaporization: 62 kJ/mol; (21)Boiling Point: 395.1 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n2ccc(c1nccn1)cc2
2.InChI: InChI=1/C8H7N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-6H,(H,10,11)
3.InChIKey: QWZSAEUNIBEKIZ-UHFFFAOYAD
4.Std. InChI: InChI=1S/C8H7N3/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-6H,(H,10,11)
5.Std. InChIKey: QWZSAEUNIBEKIZ-UHFFFAOYSA-N