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| CAS No.: | 7210-77-7 |
|---|---|
| Name: | ETHYL 2,4-DIMETHYLTHIAZOLE-5-CARBOXYLATE |
| Molecular Structure: | |
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| Formula: | C8H11NO2S |
| Molecular Weight: | 185.247 |
| Synonyms: | Ethyl2,4-dimethyl-5-thiazolecarboxylate; |
| Density: | 1.164 g/cm3 |
| Melting Point: | 48-50 °C |
| Boiling Point: | 254.3 °C at 760 mmHg |
| Flash Point: | 107.6 °C |
| Appearance: | off-white to yellow powder or chunks |
| Risk Codes: | 36/37/38 |
| Safety: | S24/25 |
| PSA: | 67.43000 |
| LogP: | 1.93660 |
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Specification
The Ethyl 2,4-dimethylthiazole-5-carboxylate with the cas number 7210-77-7. It is also called (1)5-Thiazolecarboxylic acid, 2,4-dimethyl-, ethyl ester ; (2)2,4-Dimethyl-thiazole-5-carboxylic acid ethyl ester; (3)Ethyl 2,4-dimethylthiazole-5-carboxylate.
Properties of 2,4-dimethylthiazole-5-carboxylate: (1)ACD/LogP: 0.32 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.315 ; (4)ACD/LogD (pH 7.4): 0.315 ; (5)ACD/BCF (pH 5.5): 1.022 ; (6)ACD/BCF (pH 7.4): 1.023 ; (7)ACD/KOC (pH 5.5): 35.345 ; (8)ACD/KOC (pH 7.4): 35.366 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 3 ; (12)Polar Surface Area: 67.43 Å2 ; (13)Index of Refraction: 1.525 ; (14)Molar Refractivity: 48.784 cm3 ; (15)Molar Volume: 159.086 cm3 ; (16)Polarizability: 19.34 ×10-24cm3 ; (17)Surface Tension: 41.798 dyne/cm ; (18)Density: 1.164 g/cm3 ; (19)Flash Point: 107.622 °C ; (20)Enthalpy of Vaporization: 49.177 kJ/mol ; (21)Boiling Point: 254.341 °C at 760 mmHg ; (22)Vapour Pressure: 0.017 mmHg at 25°C
The Ethyl 2,4-dimethylthiazole-5-carboxylate seems like off-white to yellow powder or chunks. It is quite irritating to eyes, respiratory system and skin. Avoid contact with skin and eyes. In case of contact with eyes. Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid in time.
You can still convert the following datas into molecular structure :
1. SMILES: CCOC(=O)c1c(nc(s1)C)C
2. InChI: InChI=1/C8H11NO2S/c1-4-11-8(10)7-5(2)9-6(3)12-7/h4H2,1-3H3