7-nitro-2-(1,4-thiazinan-4-ylcarbonyl)-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate CAS 680580-07-8
| CAS No. | 680580-07-8 |
| Molecular Formula | C13H10F3N3O4S2 |
| Molecular Weight | 393.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
7-nitro-2-(1,4-thiazinan-4-ylcarbonyl)-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate (CAS 680580-07-8) is a high-purity analytical reference standard with the molecular formula C13H10F3N3O4S2 and a molecular weight of 393.36 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 7-nitro-2-(1,4-thiazinan-4-ylcarbonyl)-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 393.36 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 7-nitro-2-(1,4-thiazinan-4-ylcarbonyl)-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-3-olate 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 | C13H10F3N3O4S2 |
| Molecular Weight | 393.36 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 4-(2,4-Dimethoxyphenyl)-3-methyl-1-{[3-(trifluoromethyl)phenyl]methyl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 861206-42-0)
- Ethyl 2-(4-(3-(trifluoromethyl)benzoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-3-yl)acetate (CAS 439112-05-7)
- 3,6-Diphenyl-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine (CAS 339013-24-0)
- N-(((9H-fluoren-9-yl)methoxy)carbonyl)-N-(3,3,3-trifluoropropyl)glycine (CAS 2172448-56-3)
- Z-Ala-Gly-Gly-OH (CAS 21929-69-1)
- 5-Bromo-2-[4-(trifluoromethoxy)phenyl]pyridine (CAS 1257875-15-2)
- 6-Methyl-2-propyl-6H-pyrrolo[3,4-d]pyrimidin-4-amine (CAS 1708026-97-4)
- 7-Methyl-4,5-dihydro-3H-spiro[benzo[b][1,4]oxazepine-2,4'-piperidine] (CAS 1956332-27-6)
- Mannobiose (CAS 14417-51-7)
- N-Cyclopropyl-1,2,3,4-tetrahydroquinoline-8-carboxamide (CAS 1541162-90-6)
- N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((4-fluorophenyl)thio)-2-methylpropanamide (CAS 906008-93-3)
- 1,5-Dimethyl (2E,4Z)-4-[(benzylamino)methylidene]pent-2-enedioate (CAS 78408-80-7)
- 4'-(1,3-Dioxolan-2-yl)-[1,1'-biphenyl]-4-carbaldehyde (CAS 893737-04-7)
- Semaglutide impurity 266 (CAS CATO-C4X-2226266)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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