1-Fluoro-5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl trifluoromethanesulfonate CAS 2114341-53-4
| CAS No. | 2114341-53-4 |
| Molecular Formula | C12H10F4O4S |
| Molecular Weight | 326.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Fluoro-5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl trifluoromethanesulfonate is closely related to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-Fluoro-5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl trifluoromethanesulfonate (CAS 2114341-53-4) is a high-purity analytical reference standard with the molecular formula C12H10F4O4S and a molecular weight of 326.26 g/mol.
1-Fluoro-5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl trifluoromethanesulfonate (C12H10F4O4S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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 | C12H10F4O4S |
| Molecular Weight | 326.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1997 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Fluoro Standards
- 1-Fluoro-2-nitro-4-((3-nitrophenyl)sulfonyl)benzene (CAS 383-21-1)
- 3-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-5-(4,4,4-trifluorobut-1-yn-1-yl)-1H-indazole (CAS 2052136-98-6)
- N-(4-Fluoro-3-methoxyphenyl)-4-nitrobenzene-1-sulfonamide (CAS 1881332-50-8)
- 1-Fluoro-3-(3-methoxypropoxy)-2-nitrobenzene (CAS 1233860-33-7)
- N-{[4-fluoro-2-(4-fluorophenyl)phenyl]sulfamoyl}acetamide (CAS 1798687-01-0)
- 2-Fluoro-5-(5-isopropyl-1H-tetrazol-1-yl)-[1,1-biphenyl]-3-carboxylic acid (CAS 1380571-65-2)
- 3-fluoro-8-iodo-naphthalene-1-carboxylic acid (CAS 2387595-87-9)
- 1-(3-Fluoro-2-methylbenzyl)piperidin-4-amine dihydrochloride (CAS 1286274-90-5)
Recommended Standards
- 2-((2,4-Dichlorobenzyl)thio)benzo[d]thiazole (CAS 401590-64-5)
- (3-Methyl-5-nitrobenzofuran-2-yl)(4-nitrophenyl)methanone (CAS 400076-08-6)
- 2-((3,4-Dichlorobenzyl)thio)benzo[d]thiazole (CAS 76151-76-3)
- 2-3-4-Tri-O-acetyl-1-azido-1-deoxy-β-D-arabinopyranosyl cyanide (CAS 168567-91-7)
- 5-Cyclopropoxy-2-isopropyl-N,N-dimethylnicotinamide (CAS 1243347-56-9)
- tert-Butyl 3-cyano-4-fluorobenzoate (CAS 171050-07-0)
- Ethyl 3-chloro-4-methoxybenzoate (CAS 14670-04-3)
- n,n-Diethyl-1h-imidazole-1-carboxamide (CAS 61985-24-8)
- Canagliflozin Impurity 91 (CAS CATO-C4X-112391)
- 1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-one (CAS 1082545-19-4)
- 1-(3-Methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 1267996-92-8)
- 4-Bromo-3-(4-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid (CAS 1245087-32-4)
- Zuranolone impurity 1 (CAS CATO-C4X-30381)
- Semaglutide impurity 45 (CAS CATO-C4X-222645)
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