1-(4-bromo-2-fluorophenyl)prop-2-yn-1-one CAS 1601693-72-4
| CAS No. | 1601693-72-4 |
| Molecular Formula | C9H4BrFO |
| Molecular Weight | 227.03 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(4-bromo-2-fluorophenyl)prop-2-yn-1-one (CAS 1601693-72-4), molecular formula C9H4BrFO and molecular weight 227.03 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(4-bromo-2-fluorophenyl)prop-2-yn-1-one (C9H4BrFO) contains a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. 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 227.03 g/mol, it falls into the medium-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.
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 | C9H4BrFO |
| Molecular Weight | 227.03 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-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 methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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.) | 1993 |
| Halogen Content | F/Br-containing |
Related bromo Standards
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- 7-Bromo-5-fluoroquinoxaline (CAS 1210048-05-7)
- 8-Bromo-2-fluoro-1,5-naphthyridine (CAS 1432322-85-4)
- 8-Bromo-3-fluoro-1,5-naphthyridine (CAS 1437790-07-2)
- 5-Bromo-7-fluoroquinoxaline (CAS 1628908-19-9)
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- 6-Bromo-5-fluoroquinoxaline (CAS 2411639-48-8)
Recommended Standards
- (2-Cyano-4-(2-methyl-1H-imidazol-1-yl)phenyl)boronic acid (CAS 2225171-55-9)
- (2-Cyano-4-(3-methyl-1H-pyrazol-1-yl)phenyl)boronic acid (CAS 2225176-16-7)
- (2-Cyano-4-(4-methyl-1H-imidazol-1-yl)phenyl)boronic acid (CAS 2225180-93-6)
- Upadacitinib Impurity 188 (CAS CATO-C4X-2405188)
- 6,6-Difluorospiro[2.5]Octan-1-amine hydrochloride (CAS 1707367-60-9)
- 4-Ethyl 1-methyl 3-oxopiperidine-1,4-dicarboxylate (CAS 65202-59-7)
- Bicuculline Methiodide (CAS 55950-07-7)
- CHDI 00390576 (CAS 1629729-98-1)
- tert-Butyl 4-bromo-2-(trimethylsilyl)-1H-indole-1-carboxylate (CAS 1359828-81-1)
- (S)-2-(Pyrrolidin-2-yl)pyridine dihydrochloride (CAS 2097073-17-9)
- Ethyl 2-((3-acetyl-6-chloro-4-phenylquinolin-2-yl)oxy)acetate (CAS 378774-63-1)
- tert-butyl 1-[(2S)-2-fluoro-3-iodo-propyl]triazole-4-carboxylate (CAS 1853166-02-5)
- (3-(2,4-Dichloro-5-fluorophenyl)-1-(m-tolyl)-1H-pyrazol-4-yl)methanol (CAS 618441-90-0)
- Semaglutide impurity 106 (CAS CATO-C4X-2226106)
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