3-(2,6-Difluorophenyl)-1-methyl-1h-pyrazole-5-carboxylic acid ethyl ester CAS 668969-40-2
| CAS No. | 668969-40-2 |
| Molecular Formula | C13H12F2N2O2 |
| Molecular Weight | 266.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 266.24 g/mol gives 3-(2,6-Difluorophenyl)-1-methyl-1h-pyrazole-5-carboxylic acid ethyl ester distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(2,6-Difluorophenyl)-1-methyl-1h-pyrazole-5-carboxylic acid ethyl ester (CAS 668969-40-2), molecular formula C13H12F2N2O2 and molecular weight 266.24 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(2,6-Difluorophenyl)-1-methyl-1h-pyrazole-5-carboxylic acid ethyl ester (C13H12F2N2O2) 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 266.24 g/mol, it falls into the medium-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).
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.
As a certified reference material (CRM), 3-(2,6-Difluorophenyl)-1-methyl-1h-pyrazole-5-carboxylic acid ethyl ester 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 | C13H12F2N2O2 |
| Molecular Weight | 266.24 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 Difluorophenyl Standards
- Ethyl 5-(3,4-difluorophenyl)-1-methyl-1H-pyrazole-3-carboxylate (CAS 1170363-38-8)
- Ethyl 5-(2,6-difluorophenyl)-1-methyl-1h-pyrazole-3-carboxylate (CAS 1361019-08-0)
- 2-(1-(3,4-Difluorophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)acetic acid (CAS 1416343-09-3)
- Ethyl 1-(2,4-difluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate (CAS 175135-71-4)
- (4E)-2-(2,6-Difluorophenyl)-4-[1-(dimethylamino)ethylidene]-4,5-dihydro-1,3-oxazol-5-one (CAS 866010-20-0)
- 2-[1-(2,4-difluorophenyl)-3,5-dimethyl-1h-pyrazol-4-yl]acetic acid (CAS 926239-71-6)
- 1-(2,4-Difluorophenyl)-3-(1,3-dimethyl-1H-pyrazol-5-yl)urea (CAS 690626-57-4)
- (2,4-Difluorophenyl)(3-fluoro-4-methoxyphenyl)methanone (CAS 1154186-23-8)
Recommended Standards
- 3-(Thiophen-2-yl)-3-(2,2,2-trifluoroacetamido)propanamide (CAS 861209-46-3)
- 2,5-Difluoro-3,6-dimercaptoterephthalic acid (CAS 2089430-11-3)
- 5-Methoxy-2-((3,4,4-trifluorobut-3-en-1-yl)thio)pyrimidin-4(3H)-one (CAS 478067-87-7)
- 2-(Methylsulfonyl)-1-(4-(trifluoromethyl)phenyl)ethan-1-one (CAS 386715-52-2)
- 1H,1H-Perfluoro-1-nonanol (CAS 423-56-3)
- 7-Carbamoyl-4-hydroxyquinoline-3-carboxylic acid (CAS 63463-24-1)
- 1-((1-(3-Fluorophenyl)ethyl)amino)-2-methylpropan-2-ol (CAS 1249435-26-4)
- 11-Maleimidoundecanoic Acid Hydrazide (CAS 359436-62-7)
- 3-bromo-2-chloro-5-methyl[1,6]naphthyridine (CAS 1192263-93-6)
- 2,5-Dichloro-4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 108469-42-7)
- Betamethasone Valerate EP Impurity B (CAS 1879-77-2)
- 3-(4-Ethoxyphenyl)-N-(1-(3-(piperidin-4-yl)propyl)-1H-pyrazol-3-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine (CAS 1956330-99-6)
- 2-(Chloromethyl)-1-methoxy-3-nitrobenzene (CAS 64208-72-6)
- Serpent Peptide (CAS 823202-99-9)
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