3-Fluoro-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]nitrobenzene CAS 154590-34-8
| CAS No. | 154590-34-8 |
| Molecular Formula | C15H20FN3O4 |
| Molecular Weight | 325.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Fluoro-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]nitrobenzene is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Fluoro-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]nitrobenzene (CAS 154590-34-8), molecular formula C15H20FN3O4 and molecular weight 325.34 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H20FN3O4, 3-Fluoro-4-[4-(tert-butoxycarbonyl)piperazin-1-yl]nitrobenzene contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 325.34 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C15H20FN3O4 |
| Molecular Weight | 325.34 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2001 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Fluoro Standards
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- 5-Fluoro-2-(4-fluorobenzoyl)benzoic acid (CAS 250714-85-3)
- Methyl 2'-(5-fluoro-2-methylphenyl)-2',3'-dihydro-1'H-spiro[cyclopropane-1,4'-quinoline]-6'-carboxylate (CAS 1353970-91-8)
- 4-Fluoro-N-[2-methyl-1-(5-methyl-1H-1,3-benzodiazol-2-yl)propyl]benzamide (CAS 338410-88-1)
- 6-Fluoro-2-(4-methoxybenzyl)-7-propylisoquinolin-1(2H)-one (CAS 923022-57-5)
Recommended Standards
- 2-(1,3-Dimethyl-2,6-dioxo-8-((2-oxopropyl)thio)-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide (CAS 1251583-02-4)
- N-(2-benzoyl-3-oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)benzamide (CAS 171508-73-9)
- Tert-butyl 4-(2-fluoro-6-nitrophenyl)piperazine-1-carboxylate (CAS 1233958-36-5)
- (S)-1-(tert-Butoxycarbonyl)-4-(5-fluoropyridin-2-yl)piperazine-2-carboxylic acid 1786481-79-5 (CAS 1786481-79-5)
- 4-(5-Bromo-2-methoxyphenyl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one (CAS 2173253-07-9)
- n-(2-Ethyl-4-hydroxybutyl)-2-fluorobenzenesulfonamide (CAS 1394772-04-3)
- 4-(3-Bromothiophen-2-yl)benzoic acid (CAS 930111-09-4)
- Ethyl 3-Amino-5-ethyl-1H-pyrrole-2-carboxylate, 97% (CAS 1194374-72-5)
- 2-(4-(4-Fluorophenyl)-1H-imidazol-2-yl)propan-2-amine (CAS 1416439-46-7)
- (R)-5-Benzyl-2,2,3-trimethylimidazolidin-4-one 2,2,2-trifluoroacetate (CAS 685128-78-3)
- Brivaracetam impurity 99 (CAS 1262340-23-7)
- Ethyl 5-formyl-1-methyl-4-nitro-1H-pyrrole-2-carboxylate (CAS 222549-75-9)
- Methyl 3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propiolate (CAS 1354706-95-8)
- Semaglutide impurity 27 (CAS CATO-C4X-222627)
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