4-Chloro-5-(4-methoxyphenyl)-3-(perfluorooctyl)-1H-pyrazole CAS 1029649-88-4
| CAS No. | 1029649-88-4 |
| Molecular Formula | C18H8ClF17N2O |
| Molecular Weight | 626.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Chloro-5-(4-methoxyphenyl)-3-(perfluorooctyl)-1H-pyrazole (CAS 1029649-88-4) is a high-purity analytical reference standard with the molecular formula C18H8ClF17N2O and a molecular weight of 626.69 g/mol.
Structurally, 4-Chloro-5-(4-methoxyphenyl)-3-(perfluorooctyl)-1H-pyrazole (C18H8ClF17N2O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 626.69 g/mol, it falls into the high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C18H8ClF17N2O |
| Molecular Weight | 626.69 g/mol |
| 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.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Related Chloro Standards
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Recommended Standards
- Latamoxef Impurity 28 (CAS CATO-C4X-179828)
- (1R,3R,5S,6S,7s,8R)-6,8,9-Tris((4-methoxybenzyl)oxy)-3-phenyl-2,4,10-trioxaadamantane (CAS 1447463-97-9)
- Latamoxef Impurity 22 (CAS CATO-C4X-179822)
- (2S,3R)-3-(((S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoyl)oxy)-2-((tert-butoxycarbonyl)amino)butanoic acid (CAS 944283-35-6)
- Ethyl 3-methoxy-5-nitrobenzoate (CAS 1227157-65-4)
- 2-Amino-6-butyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-ol (CAS 873408-42-5)
- Ethyl 5-(3,4-dimethylbenzamido)-3-methylthiophene-2-carboxylate (CAS 380569-21-1)
- 2-(4-Ethoxy-2,6-dimethylphenyl)ethanol (CAS 1378675-56-9)
- 434907-99-0 6-{[(4-Fluorophenyl)(methyl)amino]sulfonyl}-4-oxo-1,4-dihydroquinoline-3-carboxylic acid MFCD14282105 (CAS 434907-99-0)
- 7-Bromo-4-oxo-4,5-dihydrothieno[3,2-c]pyridine-2-carbaldehyde (CAS 1610520-28-9)
- 3-Iodoindole (CAS 26340-47-6)
- tert-Butyl ((1R,2S,4S,5S)-4-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-2-yl)carbamate (CAS 1145874-54-9)
- 4-(3-methyl-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid (CAS 1087784-74-4)
- Semaglutide impurity 29 (CAS 1188328-22-4)
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