4-(4-(2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)ethyl)-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-amine CAS 957040-55-0
| CAS No. | 957040-55-0 |
| Molecular Formula | C21H19ClF3N7 |
| Molecular Weight | 461.87 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 4-(4-(2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)ethyl)-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-amine.
CATO supplies 4-(4-(2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)ethyl)-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-amine (CAS 957040-55-0), a certified reference material (molecular formula C21H19ClF3N7, MW 461.87 g/mol) for analytical method development and quality control.
Structurally, 4-(4-(2-((2-Chloro-4-(trifluoromethyl)phenyl)amino)ethyl)-5-methyl-4H-1,2,4-triazol-3-yl)-1-phenyl-1H-pyrazol-5-amine (C21H19ClF3N7) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 461.87 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C21H19ClF3N7 |
| Molecular Weight | 461.87 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 7 |
Related Chloro Standards
- 3-Chloro-5-fluorobenzyl 4-(3-oxo-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)propyl)piperazine-1-carboxylate (CAS 1144036-48-5)
- (4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(4-methyl-2-phenylpyrimidin-5-yl)methanone (CAS 338399-42-1)
- N-(3-Chloro-4-fluorophenyl)-7-(3-morpholinopropoxy)-6-nitroquinazolin-4-amine (CAS 267243-64-1)
- (4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)(1,2-dihydronaphtho[2,1-b]furan-2-yl)methanone (CAS 478064-60-7)
- 5-Chloro-N-(2,4-dimethoxybenzyl)-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CAS 1235406-69-5)
- 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-((dimethylamino)methylene)-4-(phenylsulfonyl)butanamide (CAS 338420-80-7)
- 4-Chloro-3-(difluoromethoxy)-1-trityl-1H-pyrazolo[4,3-c]pyridine (CAS 2756656-96-7)
- 5''-Chloro-N-((5,6-dimethoxypyridin-2-yl)methyl)-[2,2':5',3''-terpyridine]-3'-carboxamide (CAS 1207253-08-4)
Recommended Standards
- Chlorotricarbonyl(2,2'-bipyridine)rhenium(I) (CAS 55658-96-3)
- MK-2048 (CAS 869901-69-9)
- Methyl 3-(2-chlorophenyl)-5-(1-(p-tolyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)isoxazole-4-carboxylate (CAS 318949-18-7)
- Clindamycin Impurity 82 (CAS CATO-C4X-134182)
- 2-(4-Bromo-1H-pyrazol-1-yl)ethanol (CAS 214614-81-0)
- 2-Ethyltetrahydrofuran-3-amine (CAS 1500657-23-7)
- Prucalopride Succinate (CAS 179474-85-2)
- Ivabradine Impurity 21 (CAS 1235547-07-5)
- 2-{[4-(4-ethoxyphenyl)-5-(pyridin-4-yl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 893725-83-2)
- 6-Methyl-5-propylpyridazin-3(2H)-one (CAS 679405-98-2)
- ((3AS,4R,6S,7R,7aR)-7-hydroxy-6-(4-methoxyphenoxy)-2,2-dimethyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl 4-methylbenzoate (CAS 1820580-75-3)
- Pyridoxine Impurity 74 (CAS CATO-C4X-187774)
- 26680-10-4 9J7G894K2M E14P5SD3J4 7B01B0FN51 459TN2L5F5 Poly(lactide) 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, homopolymer 3,6-Dimethyl-1,4-dioxane-2,5-dione homopolymer Poly(DL-lactide) Poly(D,L-lactide) Resomer R208 UNII-7B01B0FN51 UNII-459TN2L5F5 UNII-E14P5SD3J4 UNII-9J7G894K2M (CAS 26680-10-4)
- Semaglutide impurity 71 (CAS CATO-C4X-222671)
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