9-Fluoro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate CAS 2226905-26-4
| CAS No. | 2226905-26-4 |
| Molecular Formula | C16H16F4O6S |
| Molecular Weight | 412.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 9-Fluoro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate is closely related to a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
9-Fluoro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate (CAS 2226905-26-4) is a high-purity analytical reference standard with the molecular formula C16H16F4O6S and a molecular weight of 412.35 g/mol.
Based on its molecular formula C16H16F4O6S, 9-Fluoro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate contains a flavonoid core, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 412.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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), 9-Fluoro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate 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 | C16H16F4O6S |
| Molecular Weight | 412.35 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Fluoro Standards
- 7-Fluoro-5-(((trifluoromethyl)sulfonyl)oxy)-2,3-dihydrobenzo[b]oxepin-8-yl pivalate (CAS 2226905-08-2)
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Recommended Standards
- Methyl 2-(3-(2-(2-(2-nitrophenoxy)acetyl)hydrazono)-2-oxoindolin-1-yl)acetate (CAS 496774-62-0)
- 2-(Benzylthio)-7-(4-bromophenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS 338402-39-4)
- Mitorubrinic Acid (CAS 58958-07-9)
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- 3-Amino-6-(dimethylphosphoryl)picolinonitrile (CAS 2903925-05-1)
- 4-fluoro-2,3-dihydroxybenzoic acid (CAS 823797-30-4)
- Imidazo[1,2-d][1,2,4]thiadiazole (CAS 251-99-0)
- tert-Butyl 4-(2-(4-hydroxyphenyl)acetamido)benzylcarbamate (CAS 886362-53-4)
- 1-(2-Amino-1-(3-chlorophenyl)ethyl)-4-(trifluoromethyl)piperidin-4-ol oxalate (CAS 1185048-58-1)
- 4-((4-(Benzyloxy)benzylidene)amino)-3-(2-chlorophenyl)-1H-1,2,4-triazole-5(4H)-thione (CAS 478253-78-0)
- 4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-2-deoxy-2-phthalimido-β-D-glucopyranoside (CAS 889453-84-3)
- n-(4h-1,2,4-Triazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CAS 1147348-68-2)
- 4-Amino-N-cyclopentyl-1,2,5-oxadiazole-3-carboxamide (CAS 924844-44-0)
- C-Type Natriuretic Peptide (32-53) (human, porcine, rat) (CAS 127869-51-6)
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