Dimethyl 1-(4-fluorophenyl)-5-iodo-1H-pyrazole-3,4-dicarboxylate CAS 618442-04-9
| CAS No. | 618442-04-9 |
| Molecular Formula | C13H10FIN2O4 |
| Molecular Weight | 404.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Dimethyl 1-(4-fluorophenyl)-5-iodo-1H-pyrazole-3,4-dicarboxylate (C13H10FIN2O4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 404.13 g/mol, it falls into the moderately-high-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).
Dimethyl 1-(4-fluorophenyl)-5-iodo-1H-pyrazole-3,4-dicarboxylate (CAS 618442-04-9), molecular formula C13H10FIN2O4 and molecular weight 404.13 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C13H10FIN2O4 |
| Molecular Weight | 404.13 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
Related Dimethyl Standards
- Dimethyl 1-(2-fluorophenyl)-5-iodo-1H-pyrazole-3,4-dicarboxylate (CAS 618444-07-8)
- Dimethyl 7-hydroxy-7'-methoxy-[4,4'-bibenzo[d][1,3]dioxole]-5,5'-dicarboxylate (CAS 91828-88-5)
- N-(4-(2,5-dimethyl-3-(2,2,2-trifluoroacetyl)-1H-pyrrol-1-yl)phenyl)-2-fluorobenzamide (CAS 866156-48-1)
- 4-(((2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl)amino)-N-(pyrimidin-2-yl)benzenesulfonamide (CAS 497060-33-0)
- Dimethyl 4,4'-(propane-1,3-diylbis(oxy))bis(3-methoxybenzoate) (CAS 130107-96-9)
- 4-(1,2-Dimethyl-1H-indol-3-yl)but-3-en-2-one (CAS 61936-75-2)
- 5,11-Dimethyl-2-((1-(piperidin-4-yl)-1H-pyrazol-4-yl)amino)-5H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one (CAS 1628614-50-5)
- 3-(((4-(3,5-Dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl)thio)methyl)-4-methoxybenzaldehyde (CAS 606122-39-8)
Recommended Standards
- Ambroxol Impurity 59 (CAS 2376577-10-3)
- 3,5-Difluoro-4-(tributylstannyl)pyridine (CAS 765916-82-3)
- 2,2,3,3,4,4,4-Heptafluorobutyl (4,4,5,5,5-pentafluoropentyl) carbonate (CAS 1980048-79-0)
- 3,5-Difluoro-2-(tributylstannyl)pyridine (CAS 765917-25-7)
- (1-Methyl-1H-imidazol-2-yl)(piperidin-4-yl)methanol (CAS 912761-33-2)
- 4-Cyclopentyl-1-fluoro-2-methylbenzene (CAS 2586127-46-8)
- 4-Chloro-5,6-dimethyl-2-(methylsulfonyl)pyrimidine (CAS 746620-07-5)
- Ethyl 5-bromopyrrolo[2,1-f][1,2,4]triazine-2-carboxylate (CAS 2092311-43-6)
- 2-Methoxy-5-nitro-N-(propan-2-yl)aniline (CAS 164650-41-3)
- N-(4-Chlorophenyl)-2-ethyl-3-methylquinoline-4-carboxamide (CAS 337924-39-7)
- 4-Ethyl-1,2-dimethoxybenzene (CAS 5888-51-7)
- (R)-4-Aminotetrahydrofuran-2-one Hydrochloride (CAS 117752-88-2)
- 4-Bromo-2-(difluoromethyl)-5-nitropyridine-3-sulfonyl chloride (CAS 1806921-09-4)
- Tirzepatide Impurity 24 X TFA Salt (CAS CATO-C4X-324024)
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