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| IUPAC Name: | methyl (E)-4-bromobut-2-enoate |
| Description: | Methyl 4-bromocrotonate (CAS# 1117-71-1) is a useful synthetic intermediate. It was used in the synthesis of irreversible inhibitors of EGFR and HER-2 tyrosine kinases with enhanced antitumor activities. |
| Molecular Weight: | 179.01 |
| Molecular Formula: | C5H7BrO2 |
| Canonical SMILES: | COC(=O)C=CCBr |
| InChI: | InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3/b3-2+ |
| InChI Key: | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Boiling Point: | 83-85 ℃ (13 mmHg) |
| Purity: | 95 % (min. 90 % trans) |
| Density: | 1.522 g/cm3 |
| Appearance: | Colorless to yellow liquid |
| Storage: | 2-8 ℃ |
| MDL: | MFCD00000246 |
| LogP: | 1.11050 |
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