1H-Benzimidazole,2,2'-(3,5-pyridinediyl)bis- supplier

Name
3，5-bis（2-benzimidazyl）pyridine
EINECS
CAS No. 111397-62-7
Article Data2
CAS DataBase
Density 1.387 g/cm³
Solubility
Melting Point >280 °C
Formula C₁₉H₁₃N₅
Boiling Point 666.921 °C at 760 mmHg
Molecular Weight 311.346
Flash Point 312.834 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,5-Di(1H-benzo[d]imidazol-2-yl)pyridine;2,2'-Pyridine-3,5-diylbis(1H-benzimidazole);3,5-Bis(2-benzimidazyl)pyridine;
PSA 70.25000
LogP 4.16820

1H-Benzimidazole,2,2'-(3,5-pyridinediyl)bis- Specification

The 1H-Benzimidazole,2,2'-(3,5-pyridinediyl)bis-, with the CAS registry number 111397-62-7, is also known as 3,5-Di(1H-benzo[d]imidazol-2-yl)pyridine. This chemical's molecular formula is C₁₉H₁₃N₅ and molecular weight is 311.34. What's more, its systematic name is 2-[5-(1H-benzimidazol-2-yl)-3-pyridyl]-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,2,2'-(3,5-pyridinediyl)bis- are: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.263; (4)ACD/LogD (pH 7.4): 1.341; (5)ACD/BCF (pH 5.5): 5.142; (6)ACD/BCF (pH 7.4): 6.145; (7)ACD/KOC (pH 5.5): 106.751; (8)ACD/KOC (pH 7.4): 127.566; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 70.25 Å²; (13)Index of Refraction: 1.781; (14)Molar Refractivity: 94.262 cm³; (15)Molar Volume: 224.55 cm³; (16)Polarizability: 37.368×10^-24cm³; (17)Surface Tension: 76.138 dyne/cm; (18)Density: 1.387 g/cm³; (19)Flash Point: 312.834 °C; (20)Enthalpy of Vaporization: 98.045 kJ/mol; (21)Boiling Point: 666.921 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)[nH]c(n2)c3cc(cnc3)c4[nH]c5ccccc5n4
(2)InChI: InChI=1S/C19H13N5/c1-2-6-15-14(5-1)21-18(22-15)12-9-13(11-20-10-12)19-23-16-7-3-4-8-17(16)24-19/h1-11H,(H,21,22)(H,23,24)
(3)InChIKey: XATQTLFKVWKYJJ-UHFFFAOYSA-N

Product Name

3，5-bis（2-benzimidazyl）pyridine

1H-Benzimidazole,2,2'-(3,5-pyridinediyl)bis- Specification

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