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CAS No.: | 28020-73-7 |
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Name: | 2,6-BIS(2-BENZIMIDAZOLYL)PYRIDINE |
Article Data: | 44 |
Molecular Structure: | |
Formula: | C19H13N5 |
Molecular Weight: | 311.346 |
Synonyms: | Benzimidazole,2,2'-(2,6-pyridinediyl)bis- (8CI);2,6-Bis(benzimidazol-2-yl)pyridine;2,6-Bis(benzimidazol-2'-yl)pyridine;2,2'-Pyridine-2,6-diylbis(1H-benzimidazole); |
EINECS: | 624-875-9 |
Density: | 1.386 g/cm3 |
Melting Point: | >300 °C(lit.) |
Boiling Point: | 664 °C at 760 mmHg |
Flash Point: | 311.4 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 70.25000 |
LogP: | 4.16820 |
Pyridine-2,6-dicarboxylic acid
1,2-diamino-benzene
2,6-bis(benzimidazole-2'-yl)pyridine
Conditions | Yield |
---|---|
With phosphoric acid at 220℃; for 4h; | 96% |
With polyphosphoric acid at 200℃; for 6h; | 95% |
With phosphoric acid at 220℃; for 5h; | 92% |
2,6-bis(benzimidazole-2'-yl)pyridine
Conditions | Yield |
---|---|
With iodine In methanol; dichloromethane for 5h; | 94% |
2,6-bis(benzimidazole-2'-yl)pyridine
Conditions | Yield |
---|---|
With sodium sulfide In methanol for 0.5h; | 85% |
2,6-bis(benzimidazole-2'-yl)pyridine
Conditions | Yield |
---|---|
With L-Cysteine In aq. buffer at 25℃; for 1h; pH=7.34; Concentration; Time; Inert atmosphere; |
Conditions | Yield |
---|---|
With pyridine for 1h; Inert atmosphere; | 98% |
2,6-bis(benzimidazole-2'-yl)pyridine
2,6-bis(5-nitro-1H-benzo[d]imidazol-2-yl)pyridine
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid for 4h; Cooling with ice; | 97% |
2,6-bis(benzimidazole-2'-yl)pyridine
Conditions | Yield |
---|---|
With ascorbic acid In ethanol | 96% |
2,6-bis(benzimidazole-2'-yl)pyridine
diethyl (4-bromobutyl)phosphonate
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl-formamide at 100℃; for 10h; | 95% |
Conditions | Yield |
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With sodium acetate In methanol for 2h; Reflux; | 95% |
Conditions | Yield |
---|---|
With sodium acetate In methanol for 2h; Reflux; | 95% |
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The 1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis-, with the CAS registry number 28020-73-7, is also known as 2,6-Bis(benzimidazol-2-yl)pyridine. It belongs to the product categories of C9 to C46; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C19H13N5 and molecular weight is 311.34. What's more, its systematic name is 2,2'-pyridine-2,6-diylbis(1H-benzimidazole). It should be sealed and stored in a cool and dry place.
Physical properties of 1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 101.76; (6)ACD/BCF (pH 7.4): 123.74; (7)ACD/KOC (pH 5.5): 899.77; (8)ACD/KOC (pH 7.4): 1094.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.53 Å2; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 94.26 cm3; (15)Molar Volume: 224.5 cm3; (16)Polarizability: 37.36×10-24cm3; (17)Surface Tension: 76.1 dyne/cm; (18)Density: 1.386 g/cm3; (19)Flash Point: 311.4 °C; (20)Enthalpy of Vaporization: 97.66 kJ/mol; (21)Boiling Point: 664 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-17 mmHg at 25°C.
Preparation of 1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis-: this chemical can be prepared by pyridine-2,6-dicarboxylic acid and benzene-1,2-diamine at the temperature of 230 °C. This reaction will need reagent phosphoric acid with the reaction time of 4 hours The yield is about 53%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c5ccccc5nc1c4nc(c3nc2ccccc2n3)ccc4
(2)InChI: InChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)
(3)InChIKey: JBKICBDXAZNSKA-UHFFFAOYSA-N