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| CAS No.: | 170235-26-4 |
|---|---|
| Name: | Methyl 2-bromothiazole-4-carboxylate |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H4BrNO2S |
| Molecular Weight: | 222.062 |
| Synonyms: | 4-Thiazolecarboxylicacid, 2-bromo-, methyl ester;2-Bromo-1,3-thiazole-4-carboxylicacid methyl ester;2-Bromothiazole-4-carboxylic acid methyl ester; |
| Density: | 1.759 g/cm3 |
| Melting Point: | 118-122 °C |
| Boiling Point: | 263.3 °C at 760 mmHg |
| Flash Point: | 113 °C |
| Solubility: | Slightly soluble in water. |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant/Keep Cold; Xi:Irritant/Keep Cold; |
| Safety: | 24/25 |
| PSA: | 67.43000 |
| LogP: | 1.69220 |
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Chemistry
Empirical Formula: C5H4BrNO2S
Molecular Weight: 222.0598
Nominal Mass: 221 Da
Average Mass: 222.0598 Da
Monoisotopic Mass: 220.914603 Da
Index of Refraction: 1.583
Molar Refractivity: 42.19 cm3
Molar Volume: 126.2 cm3
Surface Tension: 52.6 dyne/cm
Density: 1.759 g/cm3
Flash Point: 113 °C
Melting point: 118-122 °C(lit.)
Storage tempreture: Keep cold
Enthalpy of Vaporization: 50.11 kJ/mol
Boiling Point: 263.3 °C at 760 mmHg
Vapour Pressure: 0.0104 mmHg at 25 °C
Structure of Methyl 2-bromothiazole-4-carboxylate (CAS NO.170235-26-4):
IUPAC Name: Methyl 2-bromo-1,3-thiazole-4-carboxylate
Canonical SMILES: COC(=O)C1=CSC(=N1)Br
InChI: InChI=1S/C5H4BrNO2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3
InChIKey: YOWKNNKTQWCYNC-UHFFFAOYSA-N
Product Category of 2,6-Dichloro-4-hydroxypyridine (CAS NO.17228-74-9): Blocks;Bromides;Carboxes;Thiazoles
Safety Profile
Hazard Codes of Methyl 2-bromothiazole-4-carboxylate (CAS NO.170235-26-4): 
Xi
Hazard Note: Irritant/Keep Cold
Specification
Methyl 2-bromothiazole-4-carboxylate , its cas register number is 170235-26-4. It also can be called Methyl 2-bromo-1,3-thiazole-4-carboxylate ; MolPort-000-139-388 ; and 4-Thiazolecarboxylic acid, 2-bromo-, methyl ester .