1-(2-Fluoroethyl)-4-iodo-1H-pyrazole CAS 398152-63-1
| CAS No. | 398152-63-1 |
| Molecular Formula | C5H6FIN2 |
| Molecular Weight | 240.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(2-Fluoroethyl)-4-iodo-1H-pyrazole is closely related to a nitrile group, fluorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(2-Fluoroethyl)-4-iodo-1H-pyrazole (CAS 398152-63-1), molecular formula C5H6FIN2 and molecular weight 240.02 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(2-Fluoroethyl)-4-iodo-1H-pyrazole (C5H6FIN2) is characterized by a nitrile group, fluorine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C5H6FIN2 |
| Molecular Weight | 240.02 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| 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) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/I-containing |
| Nitrogen Atoms | 2 |
Related Fluoroethyl Standards
- 1-(2-Fluoroethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1905405-89-1)
- 1-(2-Fluoroethyl)-3-((3,3,3-trifluoropropoxy)methyl)-1H-pyrazole (CAS 1856031-94-1)
- 4-(2-Fluoroethyl)piperidin-4-yl 2,2,2-trifluoroacetate (CAS 2608050-07-1)
- 1-(2-fluoroethyl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1049730-39-3)
- 2-[(2-Fluoroethyl)sulfanyl]-5-methyl-1,3-benzothiazole (CAS 155559-65-2)
- 4-(4-(2-Fluoroethyl)piperazin-1-yl)-2-methoxyaniline (CAS 1807809-74-0)
- 1-(2-Fluoroethyl)-3-methyl-1H-pyrazole-4-sulfonyl chloride (CAS 1394021-33-0)
- 1-(2-Fluoroethyl)-4-iodo-3-methyl-1H-pyrazole (CAS 1443278-85-0)
Recommended Standards
- (4-Bromo-2,3,5-trifluorophenyl)methanamine (CAS 1893028-75-5)
- 2-(Bromomethyl)-3-(trifluoromethyl)pyridine (CAS 780802-57-5)
- 3-Bromo-2-(2,2,2-trifluoroethyl)pyridine (CAS 1820616-33-8)
- 2-(Bromomethyl)-6-(trifluoromethyl)pyridine (CAS 781637-62-5)
- 4-{[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]sulfamoyl}benzoic acid (CAS 1053106-28-7)
- 1-Cyclopropyl-2-sulfanyl-1,4-dihydropyrimidin-4-one (CAS 1235439-16-3)
- 3-Methyl-2-thiomorpholinobutan-1-amine (CAS 1042780-82-4)
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- 2-Methyl-N-(1-(o-tolyl)ethyl)prop-2-en-1-amine (CAS 1249138-44-0)
- Tert-butyl (3aR,6aS)-hexahydropyrrolo[3,4-b]pyrrole-1(2H)-carboxylate (CAS 1367956-15-7)
- 3-Hydroxy Simvastatin (CAS 134523-09-4)
- (S)-1-(Methylthio)-4-oxoazetidin-2-yl acetate (CAS 2650414-87-0)
- 247225-33-8 3-(2,5-dimethyl-1H-pyrrol-1-yl)aniline DTXSID70349458 (CAS 247225-33-8)
- Peptide WE-14 (CAS 115136-18-0)
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