2-Bromo-4-ethynyl-1-fluorobenzene CAS 918487-39-5
| CAS No. | 918487-39-5 |
| Molecular Formula | C8H4BrF |
| Molecular Weight | 199.02 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Bromo-4-ethynyl-1-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.
2-Bromo-4-ethynyl-1-fluorobenzene (CAS 918487-39-5) is a high-purity analytical reference standard with the molecular formula C8H4BrF and a molecular weight of 199.02 g/mol.
2-Bromo-4-ethynyl-1-fluorobenzene (C8H4BrF) contains fluorine/bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
CATO manufactures 2-Bromo-4-ethynyl-1-fluorobenzene 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 | 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.) | 1987 |
| 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
- 1-Bromo-2-(4-fluorophenyl)acetylene (CAS 95895-33-3)
- 4-Bromo-1-ethynyl-2-fluorobenzene (CAS 302912-33-0)
- (R)-Isopropyl 2-bromo-2-fluoroacetate (CAS 2209873-84-5)
- 4-Bromo-2-ethynyl-1-fluorobenzene (CAS 657427-46-8)
- (2R,3S,4R,5R,6R)-2-(acetoxymethyl)-6-(2,2,2-trichloro-1-iminoethoxy)-5-(2,2,2-trichloroacetamido)tetrahydro-2H-pyran-3,4-diyl diacetate (CAS 161545-19-3)
- 1-(5-Chloropyridazin-3-yl)ethan-1-ol (CAS 2833706-81-1)
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