3-((4-Nitrobenzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS 692287-36-8
| CAS No. | 692287-36-8 |
| Molecular Formula | C24H18F3N3O2S |
| Molecular Weight | 469.48 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 3-((4-Nitrobenzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
3-((4-Nitrobenzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 692287-36-8) is a high-purity analytical reference standard with the molecular formula C24H18F3N3O2S and a molecular weight of 469.48 g/mol.
The molecular framework of 3-((4-Nitrobenzyl)thio)-1-(3-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (C24H18F3N3O2S) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
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 | C24H18F3N3O2S |
| Molecular Weight | 469.48 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- N-Benzyloxycarbonyl-4,6-O-phenylmethylene Deoxynojirimycin Diacetate (CAS 153373-52-5)
- 6-Chloro-N4-(2-ethoxyphenyl)pyrimidine-2,4-diamine (CAS 93003-22-6)
- Methyl 5-(dimethylphosphoryl)furan-2-carboxylate (CAS 2613383-31-4)
- 4-(3,5-Difluorophenyl)piperidine (CAS 412310-88-4)
- 5-Nitrofuraldehyde-d2 Diacetate (CAS 1346601-92-0)
- 4,6-Dichloro-5-[5-(trifluoromethyl)-2-benzothiazolyl]-2-pyrimidinamine (CAS 1208987-38-5)
- Cis-6-nonenal (CAS 2277-19-2)
- Naftifine Hydrochloride (CAS 65473-14-5)
- 3-{[((S)-2-Amino-3-methyl-butyryl)-methyl-amino]-methyl}-pyrrolidine-1-carboxylic acid tert-butyl ester (CAS 1401666-22-5)
- Methyl 3-(1-methylcyclopropyl)-3-oxopropanoate (CAS 61185-33-9)
- tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate (CAS 1803566-31-5)
- Tirzepatide Impurity 34 (CAS CATO-C4X-324034)
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