3-(Benzyloxy)-4-chloro-5-(methylthio)thiophene-2-carboxylic acid CAS 1774902-87-2
| CAS No. | 1774902-87-2 |
| Molecular Formula | C13H11ClO3S2 |
| Molecular Weight | 314.81 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(Benzyloxy)-4-chloro-5-(methylthio)thiophene-2-carboxylic acid (CAS 1774902-87-2), molecular formula C13H11ClO3S2 and molecular weight 314.81 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-(Benzyloxy)-4-chloro-5-(methylthio)thiophene-2-carboxylic acid (C13H11ClO3S2) 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. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C13H11ClO3S2 |
| Molecular Weight | 314.81 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, 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.) | 1994 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 2 |
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