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| IUPAC Name: | 4-bromo-2-methylbenzenesulfonyl chloride |
| Description: | 4-Bromo-2-methylbenzenesulfonyl chloride (CAS# 139937-37-4) is used in the synthesis of N-acetyl-2-carboxybenzenesulfonamides as cyclooxygenase-2 (COX-2) inhibitors. |
| Molecular Weight: | 269.54 |
| Molecular Formula: | C7H6BrClO2S |
| Canonical SMILES: | CC1=C(C=CC(=C1)Br)S(=O)(=O)Cl |
| InChI: | InChI=1S/C7H6BrClO2S/c1-5-4-6(8)2-3-7(5)12(9,10)11/h2-4H,1H3 |
| InChI Key: | KNBSFUSBZNMAKU-UHFFFAOYSA-N |
| Boiling Point: | 164 °C / 15 mmHg |
| Melting Point: | 65-67 °C |
| Purity: | 95 % |
| Density: | 1.7 g/cm3 |
| Storage: | Inert atmosphere, 2-8 °C |
| MDL: | MFCD00219927 |
| LogP: | 3.76580 |
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