Methyl 2,2-dibromo-1-methylcyclopropane-1-carboxylate CAS 39647-01-3
| CAS No. | 39647-01-3 |
| Molecular Formula | C6H8Br2O2 |
| Molecular Weight | 271.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 2,2-dibromo-1-methylcyclopropane-1-carboxylate (CAS 39647-01-3), molecular formula C6H8Br2O2 and molecular weight 271.93 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of Methyl 2,2-dibromo-1-methylcyclopropane-1-carboxylate (C6H8Br2O2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, bromine substitution. 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.
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 | C6H8Br2O2 |
| Molecular Weight | 271.93 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1968 |
| Halogen Content | Br-containing |
Related Methyl Standards
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- 3,5-dibromo-2-methoxythiophene (CAS 77133-30-3)
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Recommended Standards
- 5,6-Dibromocyclohex-2-ene-1,4-diol (CAS 317821-92-4)
- N-(3-chlorophenyl)-1,1,1-trimethyl-N-(trimethylsilyl)silanamine (CAS 7522-27-2)
- 2,3-Dibromopropyl acrylate (CAS 19660-16-3)
- 2-(1-Bromoethyl)-1,3-dichloro-4-fluorobenzene (CAS 1331786-28-7)
- 6'-Bromo-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine] (CAS 1259512-22-5)
- 1-Phenyl-2-pentanone (CAS 6683-92-7)
- Ethyl 2-(2-chloro-4-formylphenoxy)isonicotinate (CAS 1415719-37-7)
- methyl 2-(prop-2-en-1-yloxy)benzoate (CAS 6282-42-4)
- (R)-1-(2-methoxyphenyl)-2,2-dimethylpropane-1,3-diol (CAS 167255-26-7)
- Bis[bis(1,1-dimethylethyl)phosphinous acid-κP]dichloropalladium (CAS 391683-95-7)
- N,N,5-Trimethyl-1,2,4-oxadiazole-3-carboxamide (CAS 40019-05-4)
- 1-Cyclohexylpiperidin-4-ol (CAS 100049-66-9)
- 1-Hydroxy-2,3,4,7-tetramethoxyxanthone (CAS 14103-09-4)
- Semaglutide impurity 106 (CAS CATO-C4X-2226106)
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