1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide CAS 646497-76-9
| CAS No. | 646497-76-9 |
| Molecular Formula | C18H16FN2O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide (CAS 646497-76-9), molecular formula C18H16FN2OBr and molecular weight 375.24 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide (C18H16FN2OBr) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 375.24 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
CATO manufactures 1-[2-(4-fluorophenyl)-2-oxoethyl]-3-(1H-pyrrol-1-ylmethyl)pyridinium bromide under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C18H16FN2O Br |
| Molecular Weight | 375.24 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related fluorophenyl Standards
- 3-[(3-fluorophenyl)methyl]pyrrolidine (CAS 1000198-80-0)
- 3-(3-Fluorophenyl)-3-oxopropanoic acid (CAS 1000530-96-0)
- Ethyl 1-(4-fluorophenyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate (CAS 1000573-68-1)
- 1000574-26-4 2-(4-Fluorophenyl)-6-methylthio-4H-thiopyran-4-one MFCD09877819 (CAS 1000574-26-4)
- Ethyl 1-(2-fluorophenyl)-5-oxo-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate (CAS 1000575-18-7)
- 100074-04-2 5-(4-Fluorophenyl)-1-pentene MFCD11553774 (CAS 100074-04-2)
- 3-(2-Fluorophenyl)-4-hydroxyfuran-2(5H)-one (CAS 100074-44-0)
- N-[2-(4-fluorophenyl)ethyl]-1H-imidazole-1-carboxamide (CAS 1000931-75-8)
Recommended Standards
- 1-[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)-1H-pyrazol-5-amine (CAS 321522-22-9)
- 2-Hydroxy-5-(naphthalen-1-yldiazenyl)benzaldehyde (CAS 64862-97-1)
- 3-(2-furyl)-1h-pyraZol-5-ol (CAS 467248-38-0)
- Ethyl 3-amino-2-methoxy-6-methylbenzoate (CAS 913723-87-2)
- ((2R,3S,4R,5R)-5-(6-Amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl dihydrogen phosphate (CAS 70804-88-5)
- tert-Butyl 3-allyl-4-chloropyridin-2-ylcarbamate (CAS 1203499-30-2)
- 3-(3,4-Dimethoxyphenyl)-8-(2-methoxyethyl)-5-methyl-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidine (CAS 860650-40-4)
- 3-(5,6-Dimethyl-1H-benzimidazol-1-yl)propanoic acid hydrochloride (CAS 30163-89-4)
- 2-(4,6-Difluoropyridin-3-yl)acetic acid (CAS 1804518-74-8)
- Neuroendocrine Regulatory Peptide-4 (human, mouse, rat) (H-7266.1000) (CAS 922704-18-5)
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