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| IUPAC Name: | 3-bromobenzoic acid |
| Description: | 3-Bromobenzoic acid (CAS# 585-76-2) is used as a reagent in the synthesis of deoxypodophyllotoxin derivatives with insecticidal activity. Also used as a reagent in the synthesis of thiazole derivatives with antibacterial activity. |
| Molecular Weight: | 201.02 |
| Molecular Formula: | C7H5BrO2 |
| Canonical SMILES: | C1=CC(=CC(=C1)Br)C(=O)O |
| InChI: | InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChI Key: | VOIZNVUXCQLQHS-UHFFFAOYSA-N |
| Boiling Point: | 308.2 °C at 760 mmHg |
| Melting Point: | 154-158 °C |
| Purity: | 98 % |
| Density: | 1.948 g/cm3 |
| Appearance: | White to light yellow crystal powder |
| Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
| MDL: | MFCD00002487 |
| LogP: | 2.14730 |
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