1-(3-Chloro-4-fluorophenyl)-5-methoxy-1H-pyrazole-3-carboxylic acid CAS 1239734-47-4
| CAS No. | 1239734-47-4 |
| Molecular Formula | C11H8ClFN2O3 |
| Molecular Weight | 270.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 1-(3-Chloro-4-fluorophenyl)-5-methoxy-1H-pyrazole-3-carboxylic acid (CAS 1239734-47-4), a certified reference material (molecular formula C11H8ClFN2O3, MW 270.64 g/mol) for analytical method development and quality control.
Structurally, 1-(3-Chloro-4-fluorophenyl)-5-methoxy-1H-pyrazole-3-carboxylic acid (C11H8ClFN2O3) 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 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 270.64 g/mol, it falls into the medium-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C11H8ClFN2O3 |
| Molecular Weight | 270.64 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 methanol, ethanol, DMSO |
| 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.) | 1990 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
- 1-((3-Chloro-4-fluorophenoxy)methyl)-1h-pyrazole-3-carboxylic acid (CAS 1004193-08-1)
- 4-Chloro-1-(4-fluorophenoxymethyl)-1h-pyrazole-3-carboxylic acid (CAS 1004194-23-3)
- 2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propanehydrazide (CAS 1005651-08-0)
- Methyl 2-(4-chloro-5-methyl-3-(trifluoromethyl)-1h-pyrazol-1-yl)propanoate (CAS 1005678-40-9)
- 4-Chloro-1-(3-fluorophenoxymethyl)-1h-pyrazole-3-carboxylic acid (CAS 1006489-14-0)
- 3-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-2-methylpropanoic acid (CAS 1177362-96-7)
- 4-Chloro-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxaline (CAS 136773-68-7)
- 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)propane-1,2-diol (CAS 1393845-79-8)
Recommended Standards
- Chlorfenapyr Impurity 1 (CAS 122454-23-3)
- methyl 5-(chlorosulfonyl)-2,3-difluorobenzoate (CAS 1247485-41-1)
- Methyl 3-(chlorosulfonyl)-2,6-difluorobenzoate (CAS 1154155-42-6)
- Methyl 3-(chlorosulfonyl)-2,5-difluorobenzoate (CAS 1154149-20-8)
- 4-(Indolin-7-yl)morpholine (CAS 1153392-41-6)
- 2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(thiophen-3-yl)acetamide (CAS 400088-72-4)
- (2-Phenylphenyl)urea (CAS 13262-46-9)
- N-(4-bromo-3-methylphenyl)-2-((2-methoxyethyl)amino)acetamide hydrochloride (CAS 1596167-25-7)
- tert-butyl 3-methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-4-carboxylate (CAS 1375473-37-2)
- 4-Chloro-1,3-dimethyl-1H-pyrazole (CAS 15878-44-1)
- 1-Chloro-4-(4-methylthiophen-2-yl)phthalazine, 97% (CAS 149549-12-2)
- 5-(1H-imidazol-1-yl)pentan-2-amine (CAS 88940-45-8)
- (R)-4-Isopropyl-2-(6-methylpyridin-2-yl)-4,5-dihydrooxazole (CAS 2757083-00-2)
- Semaglutide Impurity 124 (CAS CATO-C4X-2226124)
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