Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate CAS 395664-58-1
| CAS No. | 395664-58-1 |
| Molecular Formula | C6H3Br2FO2S |
| Molecular Weight | 317.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate (CAS 395664-58-1), a certified reference material (molecular formula C6H3Br2FO2S, MW 317.96 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 4,5-dibromo-3-fluorothiophene-2-carboxylate (C6H3Br2FO2S) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, 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. 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.) | 2025 |
| Halogen Content | F/Br-containing |
| Sulfur Atoms | 1 |
Related Methyl Standards
- 3,7-Dibromo-2,6-dihydroxynaphthalene (CAS 1227743-83-0)
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Recommended Standards
- Methyl 3,5-dibromo-4-fluorothiophene-2-carboxylate (CAS 2839564-13-3)
- N-(2,6-dibromo-4-cyanophenyl)acetamide (CAS 959583-32-5)
- Dimethyl 2-bromo-2-(bromomethyl)succinate (CAS 99523-16-7)
- 3,6-bis(bromanyl)naphthalene-2,7-diol 3,6-dibromonaphthalene-2,7-diol 96965-79-6 A845660 (CAS 96965-79-6)
- 7-Hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-4H-1-benzopyran-4-one (CAS 61034-11-5)
- (4-Amino-6-methylpyrimidin-2-yl)methanol (CAS 1263216-08-5)
- (5-methyl-1,3-oxazol-4-yl)methanamine hydrochloride (CAS 1196151-54-8)
- (1-(4-nitrophenyl)piperidin-4-yl)methanol (CAS 471937-85-6)
- Tirofiban Impurity N16 (CAS 594-44-5)
- CAS 2389048-53-5 (CAS 2389048-53-5)
- 4-Bromoresorcinol (CAS 6626-15-9)
- (1-Acetoxy-2,2,5,5-tetramethyl-δ-3-pyrroline-3-methyl) Methanethiosulfonate (CAS 392718-69-3)
- 1,4,5,6-tetrahydropyridine-3-carbonitrile (CAS 7492-87-7)
- Semaglutide Impurity 157 (x TFA Salt) (CAS CATO-C4X-2226157)
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