2-[(3Z)-6-Chloro-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-ylidene]acetic acid CAS 861208-90-4
| CAS No. | 861208-90-4 |
| Molecular Formula | C11H7ClO3S |
| Molecular Weight | 254.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-[(3Z)-6-Chloro-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-ylidene]acetic acid (CAS 861208-90-4) is a high-purity analytical reference standard with the molecular formula C11H7ClO3S and a molecular weight of 254.69 g/mol.
The molecular framework of 2-[(3Z)-6-Chloro-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-ylidene]acetic acid (C11H7ClO3S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 2-[(3Z)-6-Chloro-4-oxo-3,4-dihydro-2H-1-benzothiopyran-3-ylidene]acetic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C11H7ClO3S |
| Molecular Weight | 254.69 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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