4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluoro-benzenesulfonic acid CAS 1644111-83-0
| CAS No. | 1644111-83-0 |
| Molecular Formula | C16H17F4NO5S |
| Molecular Weight | 411.37 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluoro-benzenesulfonic acid (C16H17F4NO5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 411.37 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluoro-benzenesulfonic acid (CAS 1644111-83-0) is a high-purity analytical reference standard with the molecular formula C16H17F4NO5S and a molecular weight of 411.37 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 4-[4-(2-cyanoethynyl)benzoyl]oxy-2,3,5,6-tetrafluoro-benzenesulfonic 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 | C16H17F4NO5S |
| Molecular Weight | 411.37 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related cyanoethynyl Standards
Recommended Standards
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- tert-Butyl(3-fluorophenoxy)dimethylsilane (CAS 114635-97-1)
- 4-Acetoxystilbene (CAS 93022-30-1)
- 2-(4-(Tert-butoxycarbonyl)piperazine-1-carbonyl)cyclopropane-1-carboxylic acid (CAS 1160474-45-2)
- 2-(Aminomethyl)benzo[d]oxazole-5-carboxaldehyde (CAS 1780245-95-5)
- Semaglutide impurity 205 (CAS CATO-C4X-2226205)
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