5-Chlorosulfonyl-2-methoxybenzoic Acid-d3

• CAT Number: R044557
• CAS Number: 123958-84-9
• Molecular Formula: C8H7ClO5S
• Molecular Weight: 253.667
• Purity: ≥95%
• Synonyms: 2-Methoxy-5-chlorosulfonylbenzoic Acid-d3; 3-Carboxy-4-methoxybenzenesulfonyl-d3 Chloride; 5-(Chlorosulfonyl)-2-(methyloxy)benzoic Acid-d3; 5-(Chlorosulfonyl)-o-anisic Acid-d3
• Storage: -20°C
• IUPAC Name: 5-chlorosulfonyl-2-(trideuteriomethoxy)benzoic acid
• InChI: InChI=1S/C8H7ClO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)/i1D3
• InChIKey: OUBZCDOQEMLMAB-FIBGUPNXSA-N
• SMILES: [2H]C([2H])([2H])OC1=C(C=C(C=C1)S(=O)(=O)Cl)C(=O)O

5-Chlorosulfonyl-2-methoxybenzoic Acid-d3 is a deuterated derivative of 5-chlorosulfonyl-2-methoxybenzoic acid, where three hydrogen atoms are replaced with deuterium. This compound is used as an internal standard in mass spectrometry and NMR spectroscopy, improving the accuracy of quantification and structural analysis. In pharmaceutical and chemical research, it aids in the study of sulfonyl and methoxy group interactions, and its role in the synthesis of various bioactive molecules. The deuterium labeling ensures precise measurements and reliable data, which is essential for high-resolution studies and analytical applications.