CAS No.492-98-8,2,2'-BIIMIDAZOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	492-98-8
Name:	2,2'-BIIMIDAZOLE
Article Data:	41

Formula:	C₆H₆N₄
Molecular Weight:	134.14
Synonyms:	2,2'-Biimidazole(6CI,7CI,8CI);2,2'-Biimidazolyl;2,2'-Bisimidazole;2,2'-Diimidazole;Glycosine of Debus;NSC 522950;
EINECS:	207-768-8
Density:	1.371 g/cm³
Melting Point:	>350°C
Boiling Point:	455.5 °C at 760 mmHg
Flash Point:	238.1 °C
Hazard Symbols:	Xi
PSA:	57.36000
LogP:	0.79980

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Specification

This chemical is called 2,2'-Bi-1H-imidazole, and its systematic name is 1H,1'H-2,2'-biimidazole. With the molecular formula of C₆H₆N₄, its molecular weight is 134.14. The CAS registry number of this chemical is 492-98-8.

Other characteristics of the 2,2'-Bi-1H-imidazole can be summarised as followings: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.7; (8)ACD/KOC (pH 7.4): 31.64; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.64 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 35.89 cm³; (15)Molar Volume: 97.8 cm³; (16)Polarizability: 14.22×10^-24cm³; (17)Surface Tension: 75.3 dyne/cm; (18)Density: 1.371 g/cm³; (19)Flash Point: 238.1 °C; (20)Enthalpy of Vaporization: 71.53 kJ/mol; (21)Boiling Point: 455.5 °C at 760 mmHg; (22)Vapour Pressure: 1.75E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: n1ccnc1c2nccn2
2.InChI: InChI=1/C6H6N4/c1-2-8-5(7-1)6-9-3-4-10-6/h1-4H,(H,7,8)(H,9,10)
3.InChIKey: AZUHIVLOSAPWDM-UHFFFAOYAL