1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carbonitrile CAS 318469-13-5
| CAS No. | 318469-13-5 |
| Molecular Formula | C13H7F6N3O |
| Molecular Weight | 335.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carbonitrile (CAS 318469-13-5) is a high-purity analytical reference standard with the molecular formula C13H7F6N3O and a molecular weight of 335.20 g/mol.
Structurally, 1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carbonitrile (C13H7F6N3O) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 335.20 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-Methyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1H-pyrazole-4-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C13H7F6N3O |
| Molecular Weight | 335.20 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 |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
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- 1-((1-(3-(Trifluoromethyl)phenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)oxy)propan-2-one (CAS 34580-66-0)
- 2-{2-[3-(trifluoromethyl)phenoxy]ethyl}-2,3-dihydro-1H-isoindole-1,3-dione (CAS 321432-39-7)
- 2-((3-(Trifluoromethyl)benzyl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile (CAS 303150-58-5)
- 1-Phenyl-4-[3-(trifluoromethyl)pyridine-2-carbonyl]piperazine (CAS 1092346-39-8)
Recommended Standards
- 1-Bromo-11,12-dihydroindolo[2,3-a]carbazole (CAS 2044705-99-7)
- 2-((2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzonitrile (CAS 2246865-47-2)
- 1-(4-(((4-Bromo-5-(dimethylamino)furan-2-yl)methylene)amino)phenyl)ethanone (CAS 470685-57-5)
- 2-((3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzonitrile (CAS 2246772-09-6)
- 2-(4-Chlorophenoxy)-N-((1-(2-(4-chlorophenoxy)ethyl)pyrrolidin-3-yl)methyl)acetamide (CAS 2169773-99-1)
- 1-[(3-bromophenyl)methyl]-2-methylpyrrolidine (CAS 1248298-37-4)
- 4-(2-Bromophenyl)-2,6-dimethyl-3,5-pyridinedicarboxylic Acid-d10 Diethyl Ester (CAS 1329793-25-0)
- 3-Ethoxy-4-((1-methyl-4-nitro-1H-pyrazol-3-yl)oxy)benzaldehyde (CAS 1429417-51-5)
- 7-fluoro-3,4-dihydro-2H-1,4-benzoxazine (CAS 56346-41-9)
- (E)-1,2-bis(4-Chlorophenyl)ethene (CAS 1657-56-3)
- Ethyl 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate (CAS 114040-29-8)
- 5-Oxo-1-(4-sulfamoylphenyl)pyrrolidine-3-carboxylic acid (CAS 63674-74-8)
- 3-(Cyclohexyloxy)-4-fluorobenzaldehyde (CAS 1289156-60-0)
- Des-Leu14-Tirzepatide (CAS CATO-CPTD788959)
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