1-(Nitro(phenylsulfonyl)methyl)-N-(3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide CAS 303151-80-6
| CAS No. | 303151-80-6 |
| Molecular Formula | C24H20F3N3O5S |
| Molecular Weight | 519.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(Nitro(phenylsulfonyl)methyl)-N-(3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide (CAS 303151-80-6), molecular formula C24H20F3N3O5S and molecular weight 519.49 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution, 1-(Nitro(phenylsulfonyl)methyl)-N-(3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 519.49 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
As a certified reference material (CRM), 1-(Nitro(phenylsulfonyl)methyl)-N-(3-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide 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 | C24H20F3N3O5S |
| Molecular Weight | 519.49 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 | 3 |
| Sulfur Atoms | 1 |
Related Nitro Standards
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- (E)-3-nitro-4-((3-(trifluoromethyl)phenyl)thio)benzaldehyde O-(2,6-dichlorobenzyl) oxime (CAS 477852-21-4)
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Recommended Standards
- Fmoc-Ile-OPfp (CAS 86060-89-1)
- 4-[(4-Chlorophenyl)sulfanyl]-6-{[(4-chlorophenyl)sulfanyl]methyl}-2-{[(4-fluorophenyl)methyl]sulfanyl}pyrimidine (CAS 341965-52-4)
- 4-(4-Allyl-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-2-(3,4-dimethoxyphenyl)thiazole (CAS 400083-72-9)
- Thalidomide-O-PEG4-azide (CAS 2380318-57-8)
- 4-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine (CAS 869335-75-1)
- 3-((4-Chlorophenyl)thio)piperidine hydrochloride (CAS 101768-48-3)
- 5-amino-1-tert-butyl-1H-pyrazole-4-carboxylic acid (CAS 1545779-06-3)
- Metoclopramide Impurity 19 (CAS 1279870-17-5)
- 3-Hydroxypropyl hydrogen (3,5-dibromophenyl)boronate (CAS 915208-31-0)
- 6,7-Dihydro-[1,4]dioxino[2,3-d]pyrimidine-2-carboxylic acid (CAS 946505-97-1)
- B-(2-Methyl-3-quinolinyl)boronic acid (CAS 1416422-81-5)
- Tetra-n-butylammonium Phenyltrifluoroborate (CAS 149477-41-8)
- 4-(2-Methylpropoxy)benzohydrazide (CAS 91430-26-1)
- Gastric Inhibitory Polypeptide (1-30) amide (porcine) (CAS 134846-93-8)
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