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| CAS No.: | 79247-92-0 |
|---|---|
| Name: | 4-PHENYL-THIAZOLE-2-CARBOXYLIC ACID ETHYL ESTER |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C12H11NO2S |
| Molecular Weight: | 219.264 |
| Synonyms: | ETHYL 4-PHENYLTHIAZOLE-2-CARBOXYLATE;2-Thiazolecarboxylic acid,4-phenyl-,methyl ester;ethyl 4-phenyl-1,3-thiazole-2-carboxylate;Methyl 4-phenylthiazole-2-carboxylate |
| Density: | 1.216 g/cm3 |
| Boiling Point: | 369.9 °C at 760 mmHg |
| Flash Point: | 177.5 °C |
| PSA: | 67.43000 |
| LogP: | 2.59670 |
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Specification
The 2-Thiazolecarboxylicacid, 4-phenyl-, methyl ester is an organic compound with the formula C12H11NO2S. The systematic name of this chemical is ethyl 4-phenylthiazole-2-carboxylate. With the CAS registry number 79247-92-0, it is also named as Ethyl 4-phenyl-1,3-thiazole-2-carboxylate.
Physical properties about 2-Thiazolecarboxylicacid, 4-phenyl-, methyl ester are: (1)ACD/LogP: 3.11; (2)ACD/LogD (pH 5.5): 3.11; (3)ACD/LogD (pH 7.4): 3.11; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 67.43 Å2; (7)Index of Refraction: 1.578; (8)Molar Refractivity: 63.72 cm3; (9)Molar Volume: 191.8 cm3; (10)Polarizability: 25.26×10-24cm3; (11)Surface Tension: 47.1 dyne/cm; (12)Density: 1.216 g/cm3; (13)Flash Point: 177.5 °C; (14)Enthalpy of Vaporization: 61.68 kJ/mol; (15)Boiling Point: 369.9 °C at 760 mmHg; (16)Vapour Pressure: 1.15E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-phenyl-thiazole-4-carboxylic acid methyl ester. This reaction will need reagent acetonitrile. The yield is about 77%.
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You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1nc(cs1)c2ccccc2
(2)InChI: InChI=1/C12H11NO2S/c1-2-15-12(14)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
(3)InChIKey: GWFISTWSEPVSDU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H11NO2S/c1-2-15-12(14)11-13-10(8-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
(5)Std. InChIKey: GWFISTWSEPVSDU-UHFFFAOYSA-N