5-(2-Bromo-4,5-difluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole CAS 1206676-80-3
| CAS No. | 1206676-80-3 |
| Molecular Formula | C13H12BrF2IN2 |
| Molecular Weight | 441.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
5-(2-Bromo-4,5-difluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole (CAS 1206676-80-3) is a high-purity analytical reference standard with the molecular formula C13H12BrF2IN2 and a molecular weight of 441.05 g/mol.
The molecular framework of 5-(2-Bromo-4,5-difluorophenyl)-1-(tert-butyl)-4-iodo-1H-pyrazole (C13H12BrF2IN2) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/bromine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H12BrF2IN2 |
| Molecular Weight | 441.05 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F/Br/I-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- 3,6-Dibromoquinolin-2(1H)-one (CAS 173282-29-6)
- (SP-4-1)-[1-[2-[Bis(1-methylethyl)amino]ethyl]-1,3-dihydro-3-methyl-2H-imidazol-2-ylidene]dibromochlorogold (CAS 1302578-04-6)
- 3-(3,5-Dibromo-1H-1,2,4-triazol-1-yl)propanenitrile (CAS 1240571-65-6)
- 3-Fluoro-2-isopropoxybenzaldehyde (CAS 1037092-98-0)
- N-(2-Methoxyphenyl)imidodicarbonimidic diamide (CAS 69025-51-0)
- Fibrinogen-Binding Inhibitor Peptide (CAS 89105-94-2)
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