1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one CAS 749927-85-3
| CAS No. | 749927-85-3 |
| Molecular Formula | C7H9IN2O |
| Molecular Weight | 264.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one (CAS 749927-85-3), molecular formula C7H9IN2O and molecular weight 264.06 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C7H9IN2O, 1-(4-Iodo-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one contains an amide group, a hydroxyl group, an ether linkage, iodine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 264.06 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C7H9IN2O |
| Molecular Weight | 264.06 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
Related Iodo Standards
- 4-Iodo-N,N-dimethyl-1H-pyrrole-2-carboxamide (CAS 1092352-92-5)
- 2-Iodo-6-isopropoxypyrazine (CAS 125060-56-2)
- 4-Iodo-1-(oxolan-3-yl)-1h-pyrazole (CAS 1344092-28-9)
- 1-(4-Iodo-3-methyl-1H-pyrazol-1-yl)propan-2-one (CAS 1354703-43-7)
- 1-(1-Ethyl-4-iodo-1H-pyrazol-3-yl)ethan-1-one (CAS 1354705-07-9)
- 1-(1-Ethyl-4-iodo-1H-pyrazol-5-yl)ethan-1-one (CAS 1354705-81-9)
- 1-(4-Iodo-5-methyl-1H-pyrazol-1-yl)propan-2-one (CAS 1354705-88-6)
- (2-Iodo-4-methoxyphenyl)methanol (CAS 1379329-63-1)
Recommended Standards
- 1-(3,5-Dichlorophenyl)-4-(difluoromethyl)-1H-1,2,3-triazole (CAS 916151-05-8)
- 1-Iodo-2-(methoxymethoxy)benzene (CAS 80778-47-8)
- (S)-3-iodo-6-methyl-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole (CAS 2329572-90-7)
- 1-Iodo-2,3-dimethoxybenzene (CAS 25245-33-4)
- 2-(((5-Nitrofuran-2-yl)methyl)amino)ethyl benzoate (CAS 88796-64-9)
- 4-(6-Chloro-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine (CAS 58732-53-9)
- 6-Chloro-8-methylquinoline (CAS 19655-50-6)
- 6-Acetyl-2-(4-chlorophenyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 477854-20-9)
- (5-Iodopyridin-3-yl)methanamine (CAS 1167055-72-2)
- 3-(3,4-Dimethylphenyl)-4,4,4-trifluorobutanoic acid (CAS 1405735-75-2)
- Ethephon-13C2 (CAS CATO-CCPD103516)
- 2,3-Difluoro-6-(phenylmethoxy)benzaldehyde (CAS 947279-31-4)
- 4-[(4-Chlorobenzenesulfinyl)methyl]-2-(pyridin-2-yl)-6-(pyrrolidin-1-yl)pyrimidine (CAS 306980-36-9)
- Semaglutide Impurity 128 (CAS 2490269-78-6)
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