5-Methyl-1-(2-(trifluoromethyl)phenyl)-1h-pyrazole-4-carboxylic acid CAS 1169957-94-1
| CAS No. | 1169957-94-1 |
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-Methyl-1-(2-(trifluoromethyl)phenyl)-1h-pyrazole-4-carboxylic acid 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.
5-Methyl-1-(2-(trifluoromethyl)phenyl)-1h-pyrazole-4-carboxylic acid (CAS 1169957-94-1), molecular formula C12H9F3N2O2 and molecular weight 270.21 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-Methyl-1-(2-(trifluoromethyl)phenyl)-1h-pyrazole-4-carboxylic acid (C12H9F3N2O2) 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 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 270.21 g/mol, it falls into the medium-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C12H9F3N2O2 |
| Molecular Weight | 270.21 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, keep sealed and dry, 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; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Methyl Standards
- 3-{[3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}benzoic acid (CAS 1004643-62-2)
- 4-{[3-(trifluoromethyl)-1h-pyrazol-1-yl]methyl}benzoic acid (CAS 1006482-42-3)
- 1-Benzyl-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid (CAS 1152504-29-4)
- 5-Methyl-2-[3-(trifluoromethyl)phenyl]-1H-imidazole-4-carboxylic Acid (CAS 1153734-86-1)
- 1-(4-(Trifluoromethyl)benzyl)-1h-pyrazole-4-carboxylic acid (CAS 1174666-17-1)
- 1-(2-(Trifluoromethyl)benzyl)-1h-pyrazole-4-carboxylic acid (CAS 1177346-90-5)
- (3-((4-(Trifluoromethyl)pyrimidin-2-yl)oxy)phenyl)methanol (CAS 1215524-83-6)
- (4-((2-(Trifluoromethyl)pyrimidin-4-yl)oxy)phenyl)methanol (CAS 1215662-44-4)
Recommended Standards
- 3-methoxy-4-(4-(trifluoromethyl)-1H-imidazol-1-yl)benzaldehyde (CAS 1170734-96-9)
- 2,2,2-Trifluoroethyl n-(isoquinolin-5-yl)carbamate (CAS 1152953-99-5)
- 1-Methyl-5-phenoxy-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 109925-42-0)
- 5-AMino-n-[4-(trifluoromethyl)phenyl]-1h-pyrazole-4-carboxamide (CAS 1186833-12-4)
- (R)-2-amino-2-(3-bromo-4-chlorophenyl)ethan-1-ol (CAS 1272745-05-7)
- 5-Chloro-2-(methylamino)phenol (CAS 1243357-05-2)
- 6-Methyl-2-oxo-2H-pyran-4-yl pivalate (CAS 22131-82-4)
- Ethyl 2-acetyl-5-methyl-4-oxohexanoate (CAS 3132-68-1)
- 2-(tert-Butyl)-5-vinylpyridine (CAS 910487-14-8)
- 7-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 1048383-29-4)
- 7-Hydroxy-1,2-dihydroisoquinolin-1-one (CAS 59647-24-4)
- 3-(3-nitro-1H-pyrazol-1-yl)propan-1-amine,HCl (CAS 1432027-20-7)
- (1R,2R)-2-(benzyloxy)cyclobutan-1-amine (CAS 1808068-58-7)
- (Tyr?)-C-Peptide (dog) (CAS 101135-67-5)
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