4-Bromo-1-ethynyl-2-fluorobenzene CAS 302912-33-0
| CAS No. | 302912-33-0 |
| Molecular Formula | C8H4BrF |
| Molecular Weight | 199.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Bromo-1-ethynyl-2-fluorobenzene is closely related to fluorine/bromine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-Bromo-1-ethynyl-2-fluorobenzene (CAS 302912-33-0) is a high-purity analytical reference standard with the molecular formula C8H4BrF and a molecular weight of 199.02 g/mol.
The molecular framework of 4-Bromo-1-ethynyl-2-fluorobenzene (C8H4BrF) is characterized by fluorine/bromine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C8H4BrF |
| Molecular Weight | 199.02 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 |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Br-containing |
Related Bromo Standards
- 2-Bromo-1-ethynyl-4-fluorobenzene (CAS 1057670-01-5)
- Ethyl 2-bromo-2-fluoropropanoate (CAS 108221-67-6)
- 1-Bromo-4-ethynyl-2-fluorobenzene (CAS 1191063-07-6)
- 1-Bromo-2-ethynyl-3-fluorobenzene (CAS 1401670-91-4)
- 1-Bromo-2-ethynyl-4-fluorobenzene (CAS 1693887-36-3)
- 1-Bromo-3-ethynyl-2-fluorobenzene (CAS 1701568-15-1)
- 2-Bromo-1-ethynyl-3-fluorobenzene (CAS 1855543-30-4)
- 1-Bromo-3-ethynyl-5-fluorobenzene (CAS 1935278-77-5)
Recommended Standards
- 2-Bromo-4-ethynyl-1-fluorobenzene (CAS 918487-39-5)
- 4-Bromo-2-ethynyl-1-fluorobenzene (CAS 657427-46-8)
- 1-Bromo-2-(4-fluorophenyl)acetylene (CAS 95895-33-3)
- Methyl 2-bromo-3-fluorobutanoate (CAS 62216-39-1)
- (S)-2-acetamido-3-(3-hydroxyphenyl)propanoic acid (CAS 64325-07-1)
- (3S)-2-(4-Bromo-2-Fluorobenzyl)-3-Methyl-6-Phenyl-1,2-Thiazinane 1,1-Dioxide (CAS 1642303-04-5)
- 5-(Difluoromethyl)-3-fluoropyridine-2,4-diamine (CAS 1806804-44-3)
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- 2-(tert-Butyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxylic acid (CAS 1482149-65-4)
- 2-Methyl-2-(4-methylcyclohexyl)propanoic acid (CAS 5729-88-4)
- 3-ethoxy-4-(2-hydroxy-ethoxy)-benZaldehyde (CAS 91123-08-9)
- 2-(2-Oxo-1,2-dihydropyridin-3-yl)piperidine-1-carbaldehyde (CAS 1352494-23-5)
- Methyl 4-Formyl-1H-pyrrole-2-carboxylate (CAS 40611-79-8)
- (Tyr?)-C-Peptide (human) (CAS 57327-90-9)
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