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| CAS No.: | 492-97-7 |
|---|---|
| Name: | 2,2'-Bithiophene |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6S2 |
| Molecular Weight: | 166.268 |
| Synonyms: | 2-thiophen-2-ylthiophene;2,2-Bithiophene;2,2'-Dithiophene; |
| EINECS: | 207-767-2 |
| Density: | 1.244 g/cm3 |
| Melting Point: | 32-33 °C(lit.) |
| Boiling Point: | 259.999 °C at 760 mmHg |
| Flash Point: | 76.261 °C |
| Solubility: | Insoluble in water. |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 56.48000 |
| LogP: | 3.47660 |
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Specification
The 2,2'-Bithiophene is an organic compound with the formula C8H6S2. The IUPAC name of this chemical is 2-thiophen-2-ylthiophene. With the CAS registry number 492-97-7, it is also named as 2-(thiophen-2-yl)thiophene. The product's categories are Thiophenes; Pharmacetical; Functional Materials; Reagents for Conducting Polymer Research; Thiophene Derivatives (for Conduting Polymer Research); Thiophen. Besides, it is a white to light yellow crystal powder, which should be stored in a closed and dry place.
Physical properties about 2,2'-Bithiophene are: (1)ACD/LogP: 3.71; (2)ACD/LogD (pH 5.5): 3.71; (3)ACD/LogD (pH 7.4): 3.71; (4)ACD/BCF (pH 5.5): 388.366; (5)ACD/BCF (pH 7.4): 388.366; (6)ACD/KOC (pH 5.5): 2483.038; (7)ACD/KOC (pH 7.4): 2483.038; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 56.48 Å2; (10)Index of Refraction: 1.631; (11)Molar Refractivity: 47.613 cm3; (12)Molar Volume: 133.677 cm3; (13)Polarizability: 18.875×10-24cm3; (14)Surface Tension: 45.378 dyne/cm; (15)Density: 1.244 g/cm3; (16)Flash Point: 76.261 °C; (17)Enthalpy of Vaporization: 47.758 kJ/mol; (18)Boiling Point: 259.999 °C at 760 mmHg; (19)Vapour Pressure: 0.02 mmHg at 25°C.
Preparation: this chemical can be prepared by thiophene. This reaction will need reagent BuLi, CuCl2 and solvent diethyl ether, tetrahydrofuran. The reaction temperature is -78 °C. The yield is about 54%.
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Uses of 2,2'-Bithiophene: it can be used to produce 5,5'-diiodo-[2,2']bithiophenyl at temperature of 5 - 20 °C. This reaction is a kind of Iodination. It will need reagent N-iodosuccinimide and AcOH. The yield is about 48%.
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When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, do not breathe dust and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(sc1)c2cccs2
(2)InChI: InChI=1/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
(3)InChIKey: OHZAHWOAMVVGEL-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
(5)Std. InChIKey: OHZAHWOAMVVGEL-UHFFFAOYSA-N