2-[(4-chloro-3-fluoroanilino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione CAS 649578-89-2
| CAS No. | 649578-89-2 |
| Molecular Formula | C15H8ClF4NO2S |
| Molecular Weight | 377.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-[(4-chloro-3-fluoroanilino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (C15H8ClF4NO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 377.74 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-[(4-chloro-3-fluoroanilino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (CAS 649578-89-2), molecular formula C15H8ClF4NO2S and molecular weight 377.74 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H8ClF4NO2S |
| Molecular Weight | 377.74 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- S 421 (CAS 127-90-2)
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- 2,6-Dichloro-3-(pyrolidin-1-ylmethyl)pyridine (CAS 1428234-65-4)
- 4-Bromo-2,5-difluorobenzonitrile (CAS 133541-45-4)
- 1-((4-Methoxyphenyl)sulfonyl)-3-methyl-1H-indole-2-carbaldehyde (CAS 88939-66-6)
- Methyl 2-amino-6-bromobenzo[d]thiazole-7-carboxylate (CAS 225525-53-1)
- 1,2-Didecanoyl-sn-glycerol (CAS 60514-49-0)
- Fimasartan Impurity 1 (CAS 1361024-52-3)
- 3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one (CAS 77152-22-8)
- Methyl N-pentanoyl-N-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-L-valinate (CAS 781664-81-1)
- 7-Amino-4-hydroxyquinoline-3-carboxylic acid (CAS 85344-88-3)
- Des-Pro31-Tirzepatide (CAS CATO-CPTD788943)
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