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| CAS No.: | 2309-48-0 |
|---|---|
| Name: | 1,3-DI-2-THIENYL-2-PROPEN-1-ONE |
| Article Data: | 21 |
| Molecular Structure: | |
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| Formula: | C11H8OS2 |
| Molecular Weight: | 220.316 |
| Synonyms: | 2-Propen-1-one, 1,3-di-2-thienyl-; |
| EINECS: | 218-993-6 |
| Density: | 1.305 g/cm3 |
| Melting Point: | 98-100 °C |
| Boiling Point: | 365.1 °C at 760 mmHg |
| Flash Point: | 174.6 °C |
| Safety: | 22-24/25 |
| PSA: | 73.55000 |
| LogP: | 3.70570 |
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Specification
The 2-Propen-1-one,1,3-di-2-thienyl-, with the CAS registry number of 2309-48-0, is also known as 2-Propen-1-one, 1,3-di-2-thienyl-. Its EINECS registry number is 218-993-6. This chemical's molecular formula is C11H8OS2 and molecular weight is 220.31. What's more, its systematic name is (2E)-1,3-Dithiophen-2-ylprop-2-en-1-one. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the 2-Propen-1-one,1,3-di-2-thienyl- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 73.55 Å2; (7)Index of Refraction: 1.681; (8)Molar Refractivity: 63.87 cm3; (9)Molar Volume: 168.7 cm3; (10)Surface Tension: 53.8 dyne/cm; (11)Density: 1.305 g/cm3; (12)Flash Point: 174.6 °C; (13)Enthalpy of Vaporization: 61.13 kJ/mol; (14)Boiling Point: 365.1 °C at 760 mmHg; (15)Vapour Pressure: 1.61E-05 mmHg at 25 °C.
Preparation: this chemical is prepared by reaction of Thiophene-2-carbaldehyde with 1-Thiophen-2-yl-ethanone. The reaction needs reagent NaOH and solvent Ethanol. The reaction time is 2 h. The yield is about 92 %.
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Uses: it is used to produce other chemicals. For example, it is used to produce 1,2,4-Tri-2-thienyl-1,4-butanedione. This reaction needs reagents 3,4-Dimethyl-5-(2-hydroxyethyl)thiazolium iodide and Triethylamine. Meanwhile, it needs solvent Ethanol. The yield is about 87 %.
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When you are using this chemical, please be cautious about it as the following:
As a chemical, The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C=C/c1sccc1)c2sccc2
(2) InChI: InChI=1/C11H8OS2/c12-10(11-4-2-8-14-11)6-5-9-3-1-7-13-9/h1-8H/b6-5+
(3) InChIKey: WCAGHDMFZMUUPQ-AATRIKPKBG