2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one CAS 876401-89-7
| CAS No. | 876401-89-7 |
| Molecular Formula | C12H9F2NOS |
| Molecular Weight | 253.27 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one (CAS 876401-89-7) is a high-purity analytical reference standard with the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution, 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one is typically pale yellow to yellow low-melting solid. Its solid-state physicochemical attributes — including a molecular weight of 253.27 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 2-((3,4-Difluorophenyl)thio)-1-(1h-pyrrol-2-yl)ethan-1-one meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H9F2NOS |
| Molecular Weight | 253.27 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 |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 1-Ethyl-4-(2-fluoro-4-nitrophenyl)piperazine (CAS 694501-34-3)
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- 4-Bromo-2-chloro-N-isopropylbenzenesulfonamide (CAS 1184192-52-6)
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- 3-Chloro-5-phenyl-4-(propan-2-yl)-4h-1,2,4-triazole (CAS 1087792-43-5)
- n-(3-(1h-Imidazol-1-yl)propyl)butan-2-amine (CAS 1152560-48-9)
- 3-(But-3-en-1-yl)-2,4,4-trimethylcyclohex-2-en-1-one (CAS 67401-27-8)
- Methyl (tetrahydro-2H-pyran-4-yl)glycinate (CAS 1156837-33-0)
- 3-(Methylsulfanyl)cyclopentan-1-amine (CAS 1342950-93-9)
- 2-((7-Chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)amino)ethyl propionate (CAS 705952-09-6)
- 5-Isopropyl-2-(trifluoromethyl)thiophen-3-amine (CAS 1511737-17-9)
- Insulin Degludec Impurity 17 (CAS CATO-C4X-215717)
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