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| CAS No.: | 21298-53-3 |
|---|---|
| Name: | 3-(2-THIENYL)PYRIDINE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H7NS |
| Molecular Weight: | 161.227 |
| Synonyms: | 2-(3-Pyridyl)thiophene; |
| EINECS: | -0 |
| Density: | 1.173 g/cm3 |
| Boiling Point: | 278.6 °C at 760 mmHg |
| Flash Point: | 121.8 °C |
| Hazard Symbols: | R36/38:Irritating to eyes and skin.; |
| Risk Codes: | 36/38 |
| Safety: | 26-36 |
| PSA: | 41.13000 |
| LogP: | 2.81010 |
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Specification
The Pyridine,3-(2-thienyl)-, with the CAS registry number of 21298-53-3, is also known as 2-(3-Pyridyl)thiophene. This chemical's molecular formula is C9H7NS and molecular weight is 161.22. What's more, its systematic name is 3-(Thiophen-2-yl)pyridine. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Pyridine,3-(2-thienyl)- are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 37.6; (6)ACD/BCF (pH 7.4): 43.87; (7)ACD/KOC (pH 5.5): 446.49; (8)ACD/KOC (pH 7.4): 520.98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.13 Å2; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 47.32 cm3; (15)Molar Volume: 137.4 cm3; (16)Surface Tension: 46 dyne/cm; (17)Density: 1.173 g/cm3; (18)Flash Point: 121.8 °C; (19)Enthalpy of Vaporization: 49.64 kJ/mol; (20)Boiling Point: 278.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00716 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of 2-Bromo-thiophene with 3-Diethylboranyl-pyridine. The reaction needs reagent KOH and solvent Tetrahydrofuran. The reaction time is 8 h. The yield is about 75 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 2-Bromo-5-(3-pyridyl)thiophene. This reaction needs reagent Br2. Meanwhile, it needs solvent Acetic acid. The reaction time is 1 h. The yield is about 75 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1) SMILES: n1cccc(c1)c2sccc2
(2) InChI: InChI=1/C9H7NS/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1-7H
(3) InChIKey: ZHBLIWDUZHFSJW-UHFFFAOYAY