2-chloro-6-[(4-chlorophenyl)sulfanyl]benzoic acid CAS 125091-45-4
| CAS No. | 125091-45-4 |
| Molecular Formula | C13H8Cl2O2S |
| Molecular Weight | 299.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies 2-chloro-6-[(4-chlorophenyl)sulfanyl]benzoic acid (CAS 125091-45-4), a certified reference material (molecular formula C13H8Cl2O2S, MW 299.17 g/mol) for analytical method development and quality control.
Structurally, 2-chloro-6-[(4-chlorophenyl)sulfanyl]benzoic acid (C13H8Cl2O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 299.17 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C13H8Cl2O2S |
| Molecular Weight | 299.17 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1992 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
Related chloro Standards
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