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| CAS No.: | 1795-01-3 |
|---|---|
| Name: | 3-Ethylthiophene |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C6H8S |
| Molecular Weight: | 112.196 |
| Synonyms: | Thiophene, 3-ethyl-;3-ETHYLTHIOPHENE;3-ETHYLTHIOPHENE 97+%;3-ethylthionphene |
| EINECS: | 217-267-6 |
| Density: | 1.004 g/cm3 |
| Melting Point: | -89.1°C |
| Boiling Point: | 138.3 °C at 760 mmHg |
| Flash Point: | 22.8 °C |
| Risk Codes: | 10 |
| Safety: | 16 |
| Transport Information: | UN 1993 |
| PSA: | 28.24000 |
| LogP: | 2.31050 |
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Specification
The CAS register number of Thiophene, 3-ethyl- is 1795-01-3. The systematic name about this chemical is 3-ethylthiophene. The molecular formula about this chemical is C6H8S and the molecular weight is 112.19. It belongs to the following product categories which include Thiophenes; Thiophens; 3-Alkylthiophenes (for Conduting Polymer Research); Functional Materials; Reagents for Conducting Polymer Research; Thiophen and so on.
Physical properties about Thiophene, 3-ethyl- are: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 2.89; (3)ACD/LogD (pH 7.4): 2.89; (4)ACD/BCF (pH 5.5): 92.19; (5)ACD/BCF (pH 7.4): 92.19; (6)ACD/KOC (pH 5.5): 887; (7)ACD/KOC (pH 7.4): 887; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 28.24 Å2; (10)Index of Refraction: 1.524; (11)Molar Refractivity: 34.18 cm3; (12)Molar Volume: 111.7 cm3; (13)Polarizability: 13.55x10-24cm3; (14)Surface Tension: 32.6 dyne/cm; (15)Density: 1.004 g/cm3; (16)Flash Point: 22.8 °C; (17)Enthalpy of Vaporization: 36.01 kJ/mol; (18)Boiling Point: 138.3 °C at 760 mmHg; (19)Vapour Pressure: 8.41 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-thiophen-3-yl-ethanone. This reaction is a kind of Wolff-Kishner reduction. This reaction will need solvent ethane-1,2-diol and reagent aq. hydrazine hydrate, KOH. The reaction time is 1 hour(s) with reaction temperature of 160 - 180 °C. The yield is about 86%.
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Uses of Thiophene, 3-ethyl-: it can be used to produce 2-bromo-3-ethyl-thiophene. This reaction will need reagent water and bromine.
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When you are using this chemical, please be cautious about it as the following:
This chemical is flammable. If you want to store this chemical, keep away from sources of ignition.
You can still convert the following datas into molecular structure:
(1)SMILES: s1ccc(c1)CC
(2)InChI: InChI=1/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3
(3)InChIKey: SLDBAXYJAIRQMX-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C6H8S/c1-2-6-3-4-7-5-6/h3-5H,2H2,1H3
(5)Std. InChIKey: SLDBAXYJAIRQMX-UHFFFAOYSA-N