N-(2-((4-chlorophenyl)thio)ethyl)-3-fluorobenzamide CAS 339113-29-0
| CAS No. | 339113-29-0 |
| Molecular Formula | C15H13ClFNOS |
| Molecular Weight | 309.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(2-((4-chlorophenyl)thio)ethyl)-3-fluorobenzamide (CAS 339113-29-0), molecular formula C15H13ClFNOS and molecular weight 309.79 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H13ClFNOS, N-(2-((4-chlorophenyl)thio)ethyl)-3-fluorobenzamide contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 309.79 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C15H13ClFNOS |
| Molecular Weight | 309.79 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- Ethyl (2E)-3-amino-3-[4-(3-chlorophenyl)piperazin-1-yl]prop-2-enoate (CAS 338406-20-5)
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- Ethyl ((3-chlorophenyl)(2-oxocyclohexyl)methyl)carbamate (CAS 478063-98-8)
- N-{2-[(4-chlorophenyl)sulfanyl]ethyl}-4-fluorobenzamide (CAS 338411-66-8)
- (R)-3-Methyl-pentanoic Acid (CAS 16958-25-1)
- 1-Amino-3-phenylbutan-2-ol (CAS 133562-22-8)
- N1-(4-Chlorobenzyl)cyclohexane-1,2-diamine hydrochloride (CAS 1353956-09-8)
- 5-Bromo-6-methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 33238-63-0)
- 2-(1-Methyl-1H-tetrazol-5-yl)ethan-1-amine (CAS 1103861-46-6)
- 4-(4-Benzylidene-2,3-dioxopyrrolidin-1-yl)butanoic acid (CAS 76628-86-9)
- 1-((2R,5R)-2,5-Dimethylpyrrolidin-1-yl)-2-fluoroethanone (CAS 136634-11-2)
- Docusate Sodium USP Related Compound B Disodium Salt (CAS 86878-53-7)
- 3-Bromo-N-phenylbenzenesulfonamide, 97% (CAS 166338-06-3)
- Insulin Degludec Impurity 18 (CAS CATO-C4X-215718)
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