3-(Trifluoromethyl)pent-1-yn-3-yl 4-nitrobenzoate CAS 1044277-03-3
| CAS No. | 1044277-03-3 |
| Molecular Formula | C13H10F3NO4 |
| Molecular Weight | 301.22 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-(Trifluoromethyl)pent-1-yn-3-yl 4-nitrobenzoate.
3-(Trifluoromethyl)pent-1-yn-3-yl 4-nitrobenzoate (CAS 1044277-03-3) is a high-purity analytical reference standard with the molecular formula C13H10F3NO4 and a molecular weight of 301.22 g/mol.
The molecular framework of 3-(Trifluoromethyl)pent-1-yn-3-yl 4-nitrobenzoate (C13H10F3NO4) is characterized by a nitrogen-containing heterocyclic scaffold, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 3-(Trifluoromethyl)pent-1-yn-3-yl 4-nitrobenzoate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H10F3NO4 |
| Molecular Weight | 301.22 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoromethyl Standards
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Recommended Standards
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- 4,4,5,5-Tetramethyl-2-(4-(p-tolyl)furan-2-yl)-1,3,2-dioxaborolane (CAS 2096339-63-6)
- 3-(Formylmethyl)glutarimide (CAS 2066-88-8)
- 4-Chloro-2-ethyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidine (CAS 307343-93-7)
- 9,9’-Spirobi[9H-fluorene] (CAS 159-66-0)
- 2-Bromo-4-vinylphenol (CAS 80122-46-9)
- Palmitoyl Tetrapeptide-7 (CAS 221227-05-0)
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