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2,2'-Bi-1H-imidazole

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Name

2,2'-Bi-1H-imidazole

EINECS 207-768-8
CAS No. 492-98-8 Density 1.371 g/cm3
PSA 57.36000 LogP 0.79980
Solubility N/A Melting Point >350°C
Formula C6H6N4 Boiling Point 455.5 °C at 760 mmHg
Molecular Weight 134.14 Flash Point 238.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 492-98-8 (2,2'-BIIMIDAZOLE) Hazard Symbols IrritantXi
Synonyms

2,2'-Biimidazole(6CI,7CI,8CI);2,2'-Biimidazolyl;2,2'-Bisimidazole;2,2'-Diimidazole;Glycosine of Debus;NSC 522950;

Article Data 41

2,2'-Bi-1H-imidazole 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

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