4-[(2-Chloro-6-fluorophenyl)methyl]-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one CAS 478247-12-0
| CAS No. | 478247-12-0 |
| Molecular Formula | C14H11ClFNOS2 |
| Molecular Weight | 327.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-[(2-Chloro-6-fluorophenyl)methyl]-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-[(2-Chloro-6-fluorophenyl)methyl]-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one (CAS 478247-12-0), molecular formula C14H11ClFNOS2 and molecular weight 327.82 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 4-[(2-Chloro-6-fluorophenyl)methyl]-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one (C14H11ClFNOS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 327.82 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).
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO manufactures 4-[(2-Chloro-6-fluorophenyl)methyl]-2H,3H,4H,5H-thieno[3,2-f][1,4]thiazepin-5-one 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 | C14H11ClFNOS2 |
| Molecular Weight | 327.82 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 | 2 |
Related Chloro Standards
- 6-Chloro-N-(3-methoxypropyl)-4-phenylquinazolin-2-amine (CAS 1018070-29-5)
- 7-Chloro-4-methoxy-N-(2-morpholinoethyl)benzo[d]thiazol-2-amine (CAS 1105189-05-6)
- 3-(2-Chloro-8-methylquinolin-3-yl)-5-cyclohexyl-1,2,4-oxadiazole (CAS 1431728-51-6)
- 2-Chloro-N-isopropyl-N-(4-methoxyphenyl)quinazolin-4-amine (CAS 827030-66-0)
- 2-Chloro-N-methyl-N-(4-propoxyphenyl)quinazolin-4-amine (CAS 827031-02-7)
- 4-((6-Chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)methyl)morpholine (CAS 866138-22-9)
- 9-Chloro-N-(2-(dimethylamino)ethyl)acridine-4-carboxamide (CAS 89459-23-4)
- 1-(2-(4-Chloro-3-methylphenoxy)ethyl)-2-methyl-1H-indole-3-carbaldehyde (CAS 432009-93-3)
Recommended Standards
- (R)-1'-(tert-Butyl)-3-chloro-5,7-dihydrospiro[cyclopenta[b]pyridine-6,3'-pyrrolo[2,3-b]pyridin]-2'(1'H)-one (CAS 1456803-73-8)
- Bis[N-(2-hydroxyethyl)-N-methylglycinato]copper (CAS 93940-93-3)
- Tegoprazan Impurity 111 (CAS CATO-C4X-2297111)
- 3-(4-Chlorophenyl)-2,5-dithioxo-2,3,5,6-tetrahydrothiazolo[4,5-d]pyrimidin-7(4H)-one (CAS 1093406-36-0)
- 3-(Bromomethyl)-6-fluorobenzo[d]isothiazole (CAS 851634-48-5)
- 1,3-Butadiene-2,3-d2 (gas) (stabilized with hydroquinone) (CAS 1983-06-8)
- Ethyl 2-iodothiazole-4-carboxylate (CAS 83553-47-3)
- 1-Boc-3-methylenepiperidine (CAS 276872-89-0)
- 1,3-bis((S)-1-(naphthalen-1-yl)ethyl)-4,5-dihydro-1H-imidazol-3-ium tetrafluoroborate (CAS 1884336-38-2)
- ((3aR,4S,5R,6aS)-5-acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate (CAS 62939-82-6)
- 2-((5-Bromo-n,2-dimethylphenyl)sulfonamido)acetamide (CAS 1178104-95-4)
- 3-[(Dimethylamino)sulfonyl]benzoic acid hydrazide (CAS 96134-79-1)
- N-methyl-1-(2-thiomorpholinopyridin-4-yl)methanamine (CAS 906352-66-7)
- Hippocampal Cholinergic Neurostimulating Peptide (CAS 140158-49-2)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com