1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid CAS 98534-84-0
| CAS No. | 98534-84-0 |
| Molecular Formula | C12H9F3N2O2 |
| Molecular Weight | 270.21 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 270.21 g/mol gives 1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 98534-84-0), molecular formula C12H9F3N2O2 and molecular weight 270.21 g/mol, is a CATO reference standard with documented purity and traceability.
1-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (C12H9F3N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | 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.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Related Methylphenyl Standards
- 2-(4-Methylphenyl)-2-oxoethyl 4-hydroxybenzoate (CAS 473874-83-8)
- 4-Methylphenyl β-D-galactopyranoside (CAS 3150-22-9)
- (2E)-3-[[(4-Methylphenyl)sulfonyl]oxy]-2-butenoic Acid Methyl Ester (CAS 1029612-16-5)
- 6-Methyl-3-(4-methylphenyl)-5-(morpholin-4-yl)-1,2,4-triazine (CAS 339103-89-8)
- 3-(4-Methylphenyl)adamantane-1-carboxylic acid (CAS 56531-69-2)
- 3-(2-Methylphenyl)-1-[(4-methylphenyl)methyl]thiourea (CAS 400736-76-7)
- 4-Methyl-2-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline (CAS 339019-61-3)
- 898780-79-5 1-(4-Methylphenyl)-3-[4-(methylsulfanyl)phenyl]propan-1-one DTXSID80644360 (CAS 898780-79-5)
Recommended Standards
- 1-(3-(Trifluoromethyl)benzyl)-1H-pyrazole-4-carboxylic acid (CAS 752222-88-1)
- 1-(m-Tolyl)-5-(trifluoromethyl)pyrazole-4-carboxylic Acid (CAS 786726-99-6)
- (Z)-2-cyano-3-hydroxy-N-(3-(trifluoromethyl)phenyl)but-2-enamide (CAS 63927-52-6)
- 1-(o-Tolyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 948293-82-1)
- 2(1H)-Pyridinone, 4-[(2,4-difluorophenyl)methoxy]-6-methyl- (CAS 586379-20-6)
- 6-Chloro-3-(difluoromethyl)-5-methylpicolinic acid (CAS 1805276-90-7)
- 4-Ethylphenyl 2-(4-bromo-2-methylphenoxy)acetate (CAS 496033-85-3)
- (3-(3-Chlorophenyl)-5-methylisoxazol-4-yl)methanol (CAS 495417-32-8)
- 2-(3-Bromopyridin-2-yl)ethanamine (CAS 910386-57-1)
- 4,6-Dichloro-1H-imidazo[4,5-c]pyridin-2(3H)-one (CAS 668268-68-6)
- Methyl jasmonate-methyl acetate-2,2-d<SUB>2</SUB>, racemic (CAS 1173097-50-1)
- tert-Butyl 2-carbamothioyl-4,4-difluoropyrrolidine-1-carboxylate (CAS 1824332-69-5)
- 3-(4-Chloro-1h-pyrazol-1-yl)-2-(isopropylamino)-2-methylpropanoic acid (CAS 1248121-77-8)
- Insulin Degludec Impurity 7 (CAS CATO-C4X-21577)
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