4-Acetylbenzenesulfonyl Chloride

CAS: 1788-10-9

Ref. TR-A145115

Product Information

• Name: 4-Acetylbenzenesulfonyl Chloride
• Synonyms: p-Acetyl-benzenesulfonyl Chloride, 4-Acetylbenzene-1-sulfonyl Chloride, 4-Acetylbenzensulfonyl Chloride, 4-Acetylphenylsulfonyl Chloride, NSC 104128, 4-Acetylbenzene-1-sulfonyl chloride, 4-Acetylbenzensulfonyl chloride, 4-Acetylphenylsulfonyl chloride, Acetophenone-4-Sulfonyl Chloride, Akos Bb-9467, Benzenesulfonyl chloride, 4-acetyl-, Benzenesulfonyl chloride, p-acetyl-, P-Acetyl-Benzenesulfonyl Chloride, Timtec-Bb Sbb005811, p-Acetylbenzenesulfonyl chloride
• CAS: 1788-10-9

Description

Applications 4-Acetylbenzenesulfonyl Chloride 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.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Amberg, A., et al.: Org. Process Res. Dev., 19, 1495 (2015); Ling, T., et al.: Eur. J. Med. Chem., 102, 13, (2015)

• Brand: TRC

Chemical properties

• Molecular weight: 218.66
• Formula: C₈H₇ClO₃S
• Color/Form: Neat
• InChI: InChI=1S/C8H7ClO3S/c1-6(10)7-2-4-8(5-3-7)13(9,11)12/h2-5H,1H3
• InChI key: InChIKey=FXVDNCRTKXMSEZ-UHFFFAOYSA-N
• SMILES: CC(=O)c1ccc(S(=O)(=O)Cl)cc1