2-[(2-Chloro-6-fluorophenyl)methyl]-9-thia-2,4-diazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,5,7,11,13-hexaene CAS 477873-02-2
| CAS No. | 477873-02-2 |
| Molecular Formula | C18H12ClFN2S |
| Molecular Weight | 342.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-[(2-Chloro-6-fluorophenyl)methyl]-9-thia-2,4-diazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,5,7,11,13-hexaene is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-[(2-Chloro-6-fluorophenyl)methyl]-9-thia-2,4-diazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,5,7,11,13-hexaene (CAS 477873-02-2), molecular formula C18H12ClFN2S and molecular weight 342.82 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, 2-[(2-Chloro-6-fluorophenyl)methyl]-9-thia-2,4-diazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3,5,7,11,13-hexaene is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 342.82 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.
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 | C18H12ClFN2S |
| Molecular Weight | 342.82 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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