1-Methyl-5-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile CAS 318284-67-2
| CAS No. | 318284-67-2 |
| Molecular Formula | C9H6F3N3O |
| Molecular Weight | 229.16 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Methyl-5-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-Methyl-5-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318284-67-2), a certified reference material (molecular formula C9H6F3N3O, MW 229.16 g/mol) for analytical method development and quality control.
The molecular framework of 1-Methyl-5-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (C9H6F3N3O) 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.
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.
CATO manufactures 1-Methyl-5-(prop-2-yn-1-yloxy)-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile 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 | C9H6F3N3O |
| Molecular Weight | 229.16 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Related Methyl Standards
- N-(Prop-2-en-1-yl)-3-(trifluoromethyl)benzamide (CAS 303144-91-4)
- prop-2-en-1-yl({1-[3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]ethyl})amine (CAS 1019612-55-5)
- 1-prop-2-enyl-1-cyclopentanol 1-prop-2-enylcyclopentan-1-ol 3780-50-5 A823883 (CAS 3780-50-5)
- 5-Phenyl-2-(prop-2-en-1-ylsulfanyl)pyrimidine (CAS 344282-09-3)
- Phenyl(4-(prop-2-yn-1-yl)piperazin-1-yl)methanone (CAS 72955-72-7)
- 4-(Prop-2-yn-1-ylcarbamoyl)thiomorpholine-3-carboxylic acid (CAS 1543541-83-8)
- 436855-68-4 3-[5-Oxo-1-(prop-2-en-1-yl)-2-sulfanylideneimidazolidin-4-yl]propanoic acid DTXSID90389775 (CAS 436855-68-4)
- Prop-2-yn-1-yl 6-(1H-1,2,4-triazol-1-yl)nicotinate (CAS 400080-47-9)
Recommended Standards
- 1-Bromodecahydro-1,6-methanonaphthalene (CAS 57234-52-3)
- 1-Methyl-5-(trifluoromethyl)indoline-2,3-dione (CAS 23563-09-9)
- 1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-ol (CAS 522634-31-7)
- 2-(3-(Trifluoromethyl)isoxazol-5-yl)phenol (CAS 511528-92-0)
- tert-Butyldimethylsilylcyanide (CAS 56522-24-8)
- 4-(4-Acetyl-2-methoxyphenoxy)butanoic acid (CAS 174884-22-1)
- ethyl 2-methyl-5-oxocyclopentane-1-carboxylate (CAS 58073-90-8)
- 5-(2-(3,4-Dimethoxyphenyl)propan-2-yl)-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 1239964-46-5)
- 1-Boc-4-[(N-methoxy-N-methylcarbamoyl)methyl]piperidine (CAS 416852-69-2)
- Bis(5H-dibenzo[a,d]cyclohepten-5-yl)phenylphosphine (CAS 1204348-65-1)
- ({3-cyano-4-(2-furyl)-6-methyl-5-[(methylamino)carbonyl]pyridin-2-yl}thio)acetic acid (CAS 851208-06-5)
- (R)-1-Carbamimidoylpyrrolidine-2-carboxylic acid (CAS 35404-54-7)
- 2-[(2,4-dichlorophenyl)methoxy]benzoic acid (CAS 162218-64-6)
- (D-His1)-Exenatide trifluoroacetate salt (CAS 1678417-09-8)
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