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| IUPAC Name: | 4-acetylbenzenesulfonyl chloride |
| Description: | 4-Acetylbenzenesulfonyl chloride (CAS# 1788-10-9) is used as one of the substances for mutagenic and carcinogenic risk assessment of carboxylic and sulfonic acid halides as drug impurities. Also, acts as a reagent for the synthesis of (+)-Dehydroabietylamine derivatives which are targeted for triple-negative breast cancer treatment. |
| Molecular Weight: | 218.66 |
| Molecular Formula: | C8H7ClO3S |
| Canonical SMILES: | CC(=O)C1=CC=C(C=C1)S(=O)(=O)Cl |
| InChI: | InChI=1S/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3 |
| InChI Key: | FXVDNCRTKXMSEZ-UHFFFAOYSA-N |
| Boiling Point: | 338.6 ℃ at 760 mmHg |
| Density: | 1.387 g/cm3 |
| Appearance: | Brown crystalline powder |
| MDL: | MFCD00800269 |
| LogP: | 2.89750 |
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Sulfur Compounds
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
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