3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-3-yl}-1-(4-chlorophenyl)urea CAS 303144-55-0
| CAS No. | 303144-55-0 |
| Molecular Formula | C15H9Cl2F3N6O |
| Molecular Weight | 417.17 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-3-yl}-1-(4-chlorophenyl)urea 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-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-3-yl}-1-(4-chlorophenyl)urea (CAS 303144-55-0), molecular formula C15H9Cl2F3N6O and molecular weight 417.17 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-1,2,4-triazol-3-yl}-1-(4-chlorophenyl)urea (C15H9Cl2F3N6O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 417.17 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 | C15H9Cl2F3N6O |
| Molecular Weight | 417.17 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 6 |
Related chloro Standards
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Recommended Standards
- Ifosfamide EP Impurity B (CAS 241482-18-8)
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- N'-[(1E)-(3-Bromo-2-hydroxy-5-methoxyphenyl)methylidene]-4-(trifluoromethyl)benzohydrazide (CAS 478248-94-1)
- 1,2,3,4,6-pentagalloylglucose (CAS 14937-32-7)
- 2-(4-Methylcyclohexyl)-N-(pyridin-4-ylmethyl)ethan-1-amine (CAS 1407068-92-1)
- 4,7-Difluoro-2-methyl-2,3-dihydrobenzofuran-3-amine (CAS 1339409-82-3)
- (R)-1-(4-isopropylphenyl)-2-methoxyethan-1-amine (CAS 1270151-40-0)
- 5-(Thiophen-2-yl)isoxazole-3-carbohydrazide (CAS 90004-25-4)
- 4-Azabicyclo[5.1.0]octane-8-carbonitrile (CAS 2110391-37-0)
- Lurasidone Impurity 63 (CAS CATO-C4X-102863)
- (2-Ethylcyclohexyl)methanamine (CAS 223747-29-3)
- rac-(2R,3R)-2-(1-ethyl-1H-imidazol-2-yl)oxolan-3-amine dihydrochloride (CAS 2059908-19-7)
- Endo-Gly4-Semaglutide (CAS CATO-C4X-222679)
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