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

Name
1，3-bits（2-benzimidazolyl)benzene
EINECS
CAS No. 29914-81-6
Article Data20
CAS DataBase
Density 1.341 g/cm³
Solubility
Melting Point
Formula C₂₀H₁₄N₄
Boiling Point 633.3 °C at 760 mmHg
Molecular Weight 310.358
Flash Point 295.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzimidazole,2,2'-m-phenylenebis- (7CI,8CI);1,3-Bis(2'-benzimidazolyl)benzene;1,3-Bis(benzimidazolyl)benzene;1,3-Bis(benzimidazol-2-yl)benzene;2,2'-m-Phenylenebisbenzimidazole;2,2'-m-Phenylenedibenzimidazole;NSC 133357;1,3-Bis(1H-benzimidazol-2-yl)benzene;2-[3-(1H-Benzimidazol-2-yl)phenyl]-1H-benzimidazole;
PSA 57.36000
LogP 4.77320

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

The 1H-Benzimidazole,2,2'-(1,3-phenylene)bis-, with the CAS registry number 29914-81-6, is also known as 1,3-Bis(benzimidazol-2-yl)benzene. This chemical's molecular formula is C₂₀H₁₄N₄ and molecular weight is 310.36. What's more, its IUPAC name is 2-[3-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole.

Physical properties of 1H-Benzimidazole,2,2'-(1,3-phenylene)bis- are: (1)ACD/LogP: 4.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.54; (5)ACD/BCF (pH 5.5): 522.58; (6)ACD/BCF (pH 7.4): 1648.4; (7)ACD/KOC (pH 5.5): 2199.88; (8)ACD/KOC (pH 7.4): 6939.17; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.64 Å²; (13)Index of Refraction: 1.77; (14)Molar Refractivity: 96.17 cm³; (15)Molar Volume: 231.3 cm³; (16)Polarizability: 38.12×10^-24cm³; (17)Surface Tension: 70 dyne/cm; (18)Density: 1.341 g/cm³; (19)Flash Point: 295.1 °C; (20)Enthalpy of Vaporization: 93.62 kJ/mol; (21)Boiling Point: 633.3 °C at 760 mmHg; (22)Vapour Pressure: 6.05E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)C4=NC5=CC=CC=C5N4
(2)InChI: InChI=1S/C20H14N4/c1-2-9-16-15(8-1)21-19(22-16)13-6-5-7-14(12-13)20-23-17-10-3-4-11-18(17)24-20/h1-12H,(H,21,22)(H,23,24)
(3)InChIKey: DNYDWFIQGPJANT-UHFFFAOYSA-N

Product Name

1，3-bits（2-benzimidazolyl)benzene

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

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