CAS No.1137-68-4,2-(2-PYRIDYL)BENZIMIDAZOLE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1137-68-4
Name:	2-(2-PYRIDYL)BENZIMIDAZOLE
Article Data:	169

Formula:	C₁₂H₉N₃
Molecular Weight:	195.224
Synonyms:	NSC 110942;Benzimidazole,2-(2-pyridyl)- (6CI,7CI,8CI);2-(2-Pyridinyl)-1H-benzimidazole;NSC 32814;2-(2-Pyridyl)-1H-benzimidazole;2-(2'-Pyrido)benzimidazole;2-(2'-Pyridyl)benzimidazole;2-(Pyridin-2-yl)benzimidazole;G 581;
EINECS:	214-508-7
Density:	1.271 g/cm³
Melting Point:	218-220 °C(lit.)
Boiling Point:	428.496 °C at 760 mmHg
Flash Point:	206.767 °C
Solubility:	Insoluble in water.
Appearance:	Yellow to brown powder
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	24/25-26
PSA:	41.57000
LogP:	2.62490

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Specification

The 2-(2-Pyridyl)benzimidazole, with the CAS registry number 1137-68-4, is also known as 2-Pyridin-2-yl-1H-benzimidazole. It belongs to the product categories of Benzimidazole; Benzimidazoles; Building Blocks; Heterocyclic Building Blocks. Its EINECS number is 214-508-7. This chemical's molecular formula is C₁₂H₉N₃ and molecular weight is 195.22. What's more, its systematic name is 2-(2-Pyridinyl)-1H-benzimidazole. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of 2-(2-Pyridyl)benzimidazole are: (1)ACD/LogP: 2.145; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.08; (4)ACD/LogD (pH 7.4): 2.14; (5)ACD/BCF (pH 5.5): 21.69; (6)ACD/BCF (pH 7.4): 25.07; (7)ACD/KOC (pH 5.5): 302.05; (8)ACD/KOC (pH 7.4): 349.01; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.699; (14)Molar Refractivity: 59.303 cm³; (15)Molar Volume: 153.604 cm³; (16)Polarizability: 23.51×10^-24cm³; (17)Surface Tension: 62.8 dyne/cm; (18)Density: 1.271 g/cm³; (19)Flash Point: 206.767 °C; (20)Enthalpy of Vaporization: 68.364 kJ/mol; (21)Boiling Point: 428.496 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by pyridine-2-carbaldehyde and benzene-1,2-diamine at the temperature of 20 °C. This reaction will need reagent SOCl₂ and solvent CH₂Cl₂ with the reaction time of 4 hours. The yield is about 92%.

2-(2-Pyridyl)benzimidazole can be prepared by pyridine-2-carbaldehyde and benzene-1,2-diamine at the temperature of 20 °C

Uses of 2-(2-Pyridyl)benzimidazole: it can be used to produce 2-pyridin-2-yl-1-(2-pyridin-2-yl-ethyl)-1H-benzoimidazole at the temperature of 140 °C. It will need reagent acetic acid with the reaction time of 6 hours. The yield is about 63.3%.

2-(2-Pyridyl)benzimidazole can be used to produce 2-pyridin-2-yl-1-(2-pyridin-2-yl-ethyl)-1H-benzoimidazole at the temperature of 140 °C

When you are using this chemical, please be cautious about it as the following:
This chemicalis irritating to eyes, respiratory system and skin. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you must avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: n1ccccc1c3nc2ccccc2n3
(2)Std. InChI: InChI=1S/C12H9N3/c1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11/h1-8H,(H,14,15)
(3)Std. InChIKey: YNFBMDWHEHETJW-UHFFFAOYSA-N