2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3-(trifluoromethyl)benzoate CAS 338748-62-2
| CAS No. | 338748-62-2 |
| Molecular Formula | C21H19F6N3O4 |
| Molecular Weight | 491.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3-(trifluoromethyl)benzoate (CAS 338748-62-2), molecular formula C21H19F6N3O4 and molecular weight 491.38 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3-(trifluoromethyl)benzoate (C21H19F6N3O4) is characterized by a flavonoid core, an amide 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C21H19F6N3O4 |
| Molecular Weight | 491.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related nitro Standards
- 2-(4-(2-Nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)ethyl 2,4-dichlorobenzoate (CAS 338748-68-8)
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- 2-[(E)-2-nitro-2-phenyl-ethenyl]thiophene 2-[(E)-2-nitro-2-phenylethenyl]thiophene 5411-70-1 A829972 (CAS 5411-70-1)
- 4-Nitro-Z-Gly-Trp-Gly-OH (M-1595.0050) (CAS 64792-79-6)
- 2-({2-nitro-4-[(2,4,5-trichlorophenoxy)methyl]phenyl}sulfanyl)-1,3-benzothiazole (CAS 477869-55-9)
- 1-[4-Nitro-3-(trifluoromethyl)phenyl]-4-{5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}piperidine (CAS 1026780-29-9)
- 2-Nitro-N-(5-((2-oxo-2-((4-(trifluoromethoxy)phenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 868973-56-2)
- 5-Nitro-3-(pyridin-4-yl)-1-trityl-1H-indazole (CAS 1192873-56-5)
Recommended Standards
- Avanafil Impurity 96 (CAS 1643811-19-1)
- Tenofovir Impurity 28 (CAS 1246812-43-0)
- Prucalopride Impurity 26 (CAS 2250243-46-8)
- 2-((N-(2,4-dichloro-5-(2-methoxyethoxy)phenyl)-4-methoxyphenyl)sulfonamido)-N,N-dimethylacetamide (CAS 400085-62-3)
- ([1,1′-Biphenyl]-2-yldicyclohexylphosphine)[1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamidato-κN]gold (CAS 1016161-75-3)
- 1-(2-Fluorophenyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carbaldehyde (CAS 618101-77-2)
- 5-((1H-Imidazol-2-yl)thio)-2-nitroaniline (CAS 55564-49-3)
- 2-(4-(4-Ethylphenyl)-2-(pyrrolidin-1-yl)thiazol-5-yl)acetic acid (CAS 1443287-67-9)
- 2-(2-Amino-4-methylphenyl)propan-2-ol (CAS 1379292-34-8)
- Nicergoline Impurity 12 (CAS 35121-60-9)
- 3-(4',5'-Dimethyl-3'-(methylsulfonyl)-1'H-[1,2'-bipyrrol]-1'-yl)-N,N-dimethylpropan-1-amine (CAS 866149-72-6)
- 4-Amino-2-methyl-1H-benzo[d]imidazol-5-ol (CAS 757153-87-0)
- 6-(TRIFLUOROMETHOXY)THIOCHROMAN-4-ONE (CAS 1256727-71-5)
- Protein Kinase C (19-36) Peptide (CAS 113731-96-7)
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