3-Chloro-2-(difluoro(1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)methyl)-5-(trifluoromethyl)pyridine CAS 1823182-61-1
| CAS No. | 1823182-61-1 |
| Molecular Formula | C15H7ClF5N5O2 |
| Molecular Weight | 419.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Chloro-2-(difluoro(1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)methyl)-5-(trifluoromethyl)pyridine is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Chloro-2-(difluoro(1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)methyl)-5-(trifluoromethyl)pyridine (CAS 1823182-61-1), molecular formula C15H7ClF5N5O2 and molecular weight 419.69 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C15H7ClF5N5O2, 3-Chloro-2-(difluoro(1-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl)methyl)-5-(trifluoromethyl)pyridine contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 419.69 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C15H7ClF5N5O2 |
| Molecular Weight | 419.69 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related Chloro Standards
- 4-Chloro-7-(phenylsulfonyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine (CAS 2096997-14-5)
- N-(3-chloro-4-(2,6-dinitro-4-(trifluoromethyl)phenoxy)phenyl)acetamide (CAS 338413-17-5)
- (4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1H-pyrazol-1-yl)(3-(trifluoromethyl)phenyl)methanone (CAS 251096-67-0)
- N-((5-chloro-1,2,3-thiadiazol-4-yl)methoxy)-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide (CAS 338794-73-3)
- 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}-3-cyanopropan-2-yl 2,6-difluorobenzoate (CAS 338399-93-2)
- 4-Chloro-5-iodo-7-(1,4-dioxaspiro[4.5]decan-8-yl)-7h-pyrrolo[2,3-d]pyrimidine (CAS 262444-48-4)
- 1-((5-Chloro-7-iodoquinolin-8-yl)oxy)-2-methylpropan-2-yl acetate (CAS 88350-16-7)
- Ethyl 5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-4,6-dioxo-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-3-carboxylate (CAS 321522-16-1)
Recommended Standards
- 2,4,6-Tris(3,4-difluorophenyl)-1,3,5,2,4,6-trioxatriborinane (CAS 1456935-98-0)
- (2-Bromo-4-((ethylsulfonyl)methyl)phenyl)(2-chloro-4-fluorophenyl)methanone (CAS 2226650-47-9)
- 2,4,5,6-Tetrabromonicotinonitrile (CAS 33416-50-1)
- 2-Bromo-6-ethoxy-4-formylphenyl 4-chlorobenzenesulfonate (CAS 432006-04-7)
- 2-(Chloromethyl)-4-(2-chlorophenyl)-1,3-thiazole (CAS 1211510-85-8)
- 3-(4-(Difluoromethoxy)-3-ethoxyphenyl)propanal (CAS 1804141-48-7)
- 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]ethan-1-ol (CAS 56392-87-1)
- 61626-05-9 1,2,4,5-Tetrazine, 3,6-dihydro- DTXSID40210641 (CAS 61626-05-9)
- tert-Butyl 4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)piperidine-1-carboxylate (CAS 937048-06-1)
- 1-(2-Aminoethyl)-N-isopropyl-N-methylpiperidin-3-amine (CAS 1353977-81-7)
- 2-(2-Hydroxyethoxy)benzoic acid (CAS 55211-84-2)
- 5-(p-Tolyl)-1H-pyrrole-3-carbonitrile (CAS 1240949-39-6)
- 4-Cyano-2,3-diamino-6-(difluoromethyl)pyridine (CAS 1806786-49-1)
- Peptide Impurity 28 (CAS 1350456-64-2)
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