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| CAS No.: | 100367-77-9 |
|---|---|
| Name: | Ethyl 2-bromothiazole-4-carboxylate |
| Article Data: | 40 |
| Molecular Structure: | |
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|
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| Formula: | C6H6BrNO2S |
| Molecular Weight: | 236.089 |
| Synonyms: | 2-Bromothiazole-4-carboxylic acid ethyl ester;2-Bromo-thiazole-4-carboxylic acid ethyl ester;Ethyl 2-bromo-1,3-thiazole-4-carboxylate; |
| Density: | 1.654 g/cm3 |
| Melting Point: | 48-52 °C |
| Boiling Point: | 277.6 °C at 760 mmHg |
| Flash Point: | 121.7 °C |
| Appearance: | white crystalline power |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 67.43000 |
| LogP: | 2.08230 |
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Specification
The Ethyl 2-bromothiazole-4-carboxylate with CAS registry number of 100367-77-9 is also known as 2-Bromothiazole-4-carboxylic acid ethyl ester. The IUPAC name is Ethyl 2-bromo-1,3-thiazole-4-carboxylate. It belongs to product categories of Blocks; Bromides; Carboxes; Thiazoles; Esters; Thiazoles, Isothiazoles &Benzothiazoles; Thiazoles, Isothiazoles & Benzothiazoles; Building Blocks; Thiazole. In addition, the formula is C6H6BrNO2S and the molecular weight is 236.09. Besides, this chemical should be kept cold.
Physical properties about Ethyl 2-bromothiazole-4-carboxylate are: (1)ACD/LogP: 2.44 (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 67.43Å2; (5)Index of Refraction: 1.569; (6)Molar Refractivity: 46.82 cm3; (7)Molar Volume: 142.7 cm3; (8)Polarizability: 18.56×10-24cm3; (9)Surface Tension: 50.1 dyne/cm; (10)Density: 1.654 g/cm3; (11)Flash Point: 121.7 °C; (12)Enthalpy of Vaporization: 51.62 kJ/mol; (13)Boiling Point: 277.6 °C at 760 mmHg; (14)Vapour Pressure: 0.00448 mmHg at 25 °C.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CCOC(=O)C1=CSC(=N1)Br
2. InChI: InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
3. InChIKey: CNHISCQPKKGDPO-UHFFFAOYSA-N