(1-(Nitro(phenylsulfonyl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-(trifluoromethyl)phenyl)methanone CAS 339097-00-6
| CAS No. | 339097-00-6 |
| Molecular Formula | C24H19F3N2O5S |
| Molecular Weight | 504.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including (1-(Nitro(phenylsulfonyl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-(trifluoromethyl)phenyl)methanone.
(1-(Nitro(phenylsulfonyl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-(trifluoromethyl)phenyl)methanone (CAS 339097-00-6), molecular formula C24H19F3N2O5S and molecular weight 504.48 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C24H19F3N2O5S, (1-(Nitro(phenylsulfonyl)methyl)-3,4-dihydroisoquinolin-2(1H)-yl)(3-(trifluoromethyl)phenyl)methanone contains a flavonoid core, an amide group, 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 504.48 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C24H19F3N2O5S |
| Molecular Weight | 504.48 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (2S,3R,4S,5R)-2-Acetoxy-5-((benzoyloxy)methyl)tetrahydrofuran-3,4-diyl dibenzoate (CAS 16162-35-9)
- 1-O-acetyl-2,3,5-tri-O-benzoyl-D-arabinofuranose (CAS 57236-69-8)
- Tinosinen (CAS 155179-20-7)
- 4-Methyl-3-{2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-5-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole (CAS 956753-96-1)
- 5-(1,3-Dioxolan-2-yl)benzo[d][1,3]dioxole (CAS 4405-18-9)
- tert-butyl 3-bromo-5-phenyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate (CAS 890842-71-4)
- (6-Methoxypyridin-2-yl)(4-(pentyloxy)phenyl)methanone (CAS 1187171-44-3)
- 942-25-6 1-(1-Methyl-1H-benzimidazol-2-yl)ethanone DTXSID20355408 (CAS 942-25-6)
- 1-Isopropyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 1235440-61-5)
- 2-Methyl-6-methoxypyridine-3-boronic acid pinacol ester, 97% (CAS 1080028-73-4)
- Lasmiditan Impurity 44 (CAS CATO-C4X-247844)
- 4-BROMO-3-[1,3]DIOXOLAN-2-YL-BENZONITRILE (CAS 160313-50-8)
- 5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-2-ethoxybenzoic acid (CAS 866156-08-3)
- Peptide Impurity (CAS CATO-CPTD788810)
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