Methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate CAS 2839564-13-3
| CAS No. | 2839564-13-3 |
| Molecular Formula | C6H3Br2FO2S |
| Molecular Weight | 317.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate (CAS 2839564-13-3) is a high-purity analytical reference standard with the molecular formula C6H3Br2FO2S and a molecular weight of 317.96 g/mol.
Methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate (C6H3Br2FO2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; 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.
Physical & Chemical Properties
| Molecular Formula | C6H3Br2FO2S |
| Molecular Weight | 317.96 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2003 |
| Halogen Content | F/Br-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 5-(Hydroxymethyl)cyclohexane-1,3-dione (CAS 70150-65-1)
- 3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine (CAS 1174850-85-1)
- 3-Bromo-2-chloro-6-fluorobenzoic acid (CAS 1114809-13-0)
- 2’,6’-dioxospiro[adamantane-2,4’-piperidine]-3’,5’-dicarbonitrile (CAS 405889-71-6)
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- Insulin aspart (CAS 116094-23-6)
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