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| IUPAC Name: | 2,5-dibromobenzoic acid |
| Description: | 2,5-Dibromobenzoic acid (CAS# 610-71-9) is an intermediate used to prepare benzo[c]chromenone and benzo[c]chromene derivatives as estrogen β-receptor-selective agonists in comparison with effusol and estradiol. It is also used in the synthesis of aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. |
| Molecular Weight: | 279.91 |
| Molecular Formula: | C7H4Br2O2 |
| Canonical SMILES: | C1=CC(=C(C=C1Br)C(=O)O)Br |
| InChI: | InChI=1S/C7H4Br2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11) |
| InChI Key: | SQQKOTVDGCJJKI-UHFFFAOYSA-N |
| Boiling Point: | 344.6 ℃ at 760 mmHg |
| Melting Point: | 156-159 ℃ |
| Purity: | 98 % |
| Density: | 2.083 g/cm3 |
| Appearance: | White to off white crystal powder |
| MDL: | MFCD00016494 |
| LogP: | 2.90980 |
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