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| CAS No.: | 117724-62-6 |
|---|---|
| Name: | ETHYL 4-(TRIFLUOROMETHYL)-2-METHYLTHIAZOLE-5-CARBOXYLATE |
| Article Data: | 8 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H8F3NO2S |
| Molecular Weight: | 239.218 |
| Synonyms: | Ethyl2-methyl-4-trifluoromethylthiazole-5-carboxylate; |
| EINECS: | 1312995-182-4 |
| Density: | 1.356 g/cm3 |
| Melting Point: | 34-37 °C |
| Boiling Point: | 271.1 °C at 760 mmHg |
| Flash Point: | 117.8 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 67.43000 |
| LogP: | 2.64700 |
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- Total:31 Page 1 of 1 1
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Specification
The 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-, ethyl ester is an organic compound with the formula C8H8F3NO2S. The IUPAC name of this chemical is ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate. With the CAS registry number 117724-62-6, it is also named as ethyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
Physical properties about 5-Thiazolecarboxylicacid, 2-methyl-4-(trifluoromethyl)-, ethyl ester are: (1)ACD/LogP: 2.58; (2)ACD/LogD (pH 5.5): 2.58; (3)ACD/LogD (pH 7.4): 2.58; (4)ACD/BCF (pH 5.5): 54.03; (5)ACD/BCF (pH 7.4): 54.03; (6)ACD/KOC (pH 5.5): 605.12; (7)ACD/KOC (pH 7.4): 605.12; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 67.43 Å2; (11)Index of Refraction: 1.467; (12)Molar Refractivity: 48.93 cm3; (13)Molar Volume: 176.3 cm3; (14)Polarizability: 19.4×10-24cm3; (15)Surface Tension: 33.4 dyne/cm; (16)Density: 1.356 g/cm3; (17)Flash Point: 117.8 °C; (18)Enthalpy of Vaporization: 50.93 kJ/mol; (19)Boiling Point: 271.1 °C at 760 mmHg; (20)Vapour Pressure: 0.00657 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1nc(sc1C(=O)OCC)C
(2)InChI: InChI=1/C8H8F3NO2S/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3
(3)InChIKey: FKNJDCSKTSRSSW-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H8F3NO2S/c1-3-14-7(13)5-6(8(9,10)11)12-4(2)15-5/h3H2,1-2H3
(5)Std. InChIKey: FKNJDCSKTSRSSW-UHFFFAOYSA-N