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Cas Database |
| Name |
Thiophene-3-ol,5-(trifluoromethyl)- |
EINECS | 200-258-5 |
| CAS No. | 217959-45-0 | Density | 1.541 g/cm3 |
| PSA | 42.37000 | LogP | 1.74850 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H3F3OS | Boiling Point | 145.9 °C at 760 mmHg |
| Molecular Weight | 168.139 | Flash Point | 42.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3-Hydroxy-5-trifluoromethylthiophene;5-Trifluoromethyl-3-hydroxythiophene; |
Article Data | 6 |
Thiophene-3-ol,5-(trifluoromethyl)- Synthetic route
- 217959-45-0
4-Hydroxy-2-(trifluoromethyl)thiophene
| Conditions | Yield |
|---|---|
| at 100℃; for 3.5h; Decarboxylation; | 82% |
| 82% |
- 157162-16-8
methyl 3-hydroxy-5-(trifluoromethyl)thiophene-2-carboxylate
- 217959-45-0
4-Hydroxy-2-(trifluoromethyl)thiophene
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 65 percent / aq. NaOH / 3 h / Heating 2: 82 percent / 3.5 h / 100 °C View Scheme |
- 358-23-6
trifluoromethylsulfonic anhydride
- 217959-45-0
4-Hydroxy-2-(trifluoromethyl)thiophene
- 827322-77-0
4-trifluoromethanesulfonate-2-trifluoromethylthiophene
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 0 - 20℃; for 3h; | 92% |
- 1140520-39-3
N-{[5-methyl-4-(methylsulfonyl)pyrimidin-2-yl]methyl}cyclopropane-carboxamide
- 217959-45-0
4-Hydroxy-2-(trifluoromethyl)thiophene
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile for 8h; Heating / reflux; | 18% |
- 1513-65-1
2,6-difluoro pyridine
- 217959-45-0
4-Hydroxy-2-(trifluoromethyl)thiophene
- 653601-80-0
2-fluoro-6-(2-trifluoromethyl-4-thienyloxy)pyridine
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 20 - 80℃; for 4h; |
Thiophene-3-ol,5-(trifluoromethyl)- Specification
The Thiophene-3-ol,5-(trifluoromethyl)-, also known as 3(2H)-Thiophenone, 5-(trifluoromethyl)-, is an organic compound with the formula C5H3F3OS. With the CAS registry number 217959-45-0, its IUPAC name is 5-(trifluoromethyl)thiophen-3-one.
Physical properties of Thiophene-3-ol,5-(trifluoromethyl)-: (1)ACD/LogP: 2.08; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 2.08; (4)ACD/BCF (pH 5.5): 22.36; (5)ACD/BCF (pH 7.4): 22.36; (6)ACD/KOC (pH 5.5): 321.75; (7)ACD/KOC (pH 7.4): 321.75; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.482; (10)Molar Refractivity: 31.12 cm3; (11)Molar Volume: 109 cm3; (12)Surface Tension: 35.2 dyne/cm; (13)Density: 1.541 g/cm3; (14)Flash Point: 42.1 °C; (15)Enthalpy of Vaporization: 38.3 kJ/mol; (16)Boiling Point: 145.9 °C at 760 mmHg; (17)Vapour Pressure: 4.75 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(=O)C=C(S1)C(F)(F)F
(2)InChI: InChI=1S/C5H3F3OS/c6-5(7,8)4-1-3(9)2-10-4/h1H,2H2
(3)InChIKey: CYTOKNSEVPOFNF-UHFFFAOYSA-N
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