3-Bromomethyl-4,4,4-trifluoro-but-2-enoic acid methyl ester CAS 82648-69-9
| CAS No. | 82648-69-9 |
| Molecular Formula | C6H6BrF3O2 |
| Molecular Weight | 247.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Bromomethyl-4,4,4-trifluoro-but-2-enoic acid methyl ester.
CATO supplies 3-Bromomethyl-4,4,4-trifluoro-but-2-enoic acid methyl ester (CAS 82648-69-9), a certified reference material (molecular formula C6H6BrF3O2, MW 247.01 g/mol) for analytical method development and quality control.
Based on its molecular formula C6H6BrF3O2, 3-Bromomethyl-4,4,4-trifluoro-but-2-enoic acid methyl ester contains a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 247.01 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C6H6BrF3O2 |
| Molecular Weight | 247.01 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.) | 1980 |
| Halogen Content | F/Br-containing |
Related Bromomethyl Standards
- 2-(Bromomethyl)-6-cyano-3-(difluoromethyl)pyridine (CAS 1804753-33-0)
- 2-(Bromomethyl)-6-cyano-4-(difluoromethyl)pyridine (CAS 1804981-94-9)
- 2-(Bromomethyl)-4-cyano-3-(difluoromethyl)pyridine (CAS 1806784-22-4)
- 1-(Bromomethyl)-1-((2,2,2-trifluoroethoxy)methyl)cyclopropane (CAS 1496897-69-8)
- 5-(Bromomethyl)-2-(trifluoromethyl)tetrahydro-2H-pyran (CAS 2306276-89-9)
- 2-(bromomethyl)-4,6-dichloro-pyridine (CAS 1260768-84-0)
- 8-(Bromomethyl)-6-fluoro-4h-benzo[d][1,3]dioxine (CAS 1165892-50-1)
- Methyl 4-(Bromomethyl)-3-fluorobenzoate (CAS 128577-47-9)
Recommended Standards
- 2-Fluoro-6-iodobenzonitrile (CAS 79544-29-9)
- 3-Fluoro-2-iodobenzonitrile (CAS 916792-62-6)
- 2-Fluoro-5-iodobenzonitrile (CAS 351003-36-6)
- 3-Fluoro-5-iodobenzonitrile (CAS 723294-75-5)
- 3-Amino-3-(4-ethoxynaphthalen-1-yl)propanoic acid (CAS 612047-63-9)
- 4-Cyclopropoxy-6-methoxy-N,N-dimethylpyridin-3-amine (CAS 1243454-75-2)
- 8-(4-Chlorophenylthio)-adenosine3:5-cyclicmonophosphatesodiumsalt (CAS 93882-12-3)
- Prospidium Chloride (CAS 23476-83-7)
- Tetrahydro-2H-pyran-4-amine Hydrochloride (CAS 33024-60-1)
- o-Xylene-α,α,α,α′,α′,α′-d6 (CAS 25319-54-4)
- [4-(3-Methylphenyl)-1-piperazinyl]acetic acid dihydrochloride (CAS 1185473-55-5)
- 2-Methyl-3-((2,4,5-trimethylbenzyl)amino)propanenitrile (CAS 1249360-23-3)
- Mirabegron Impurity 141 (CAS CATO-C4X-1032141)
- Liraglutide-d8 Tritrifluoroacetate (CAS CATO-C4X-199223)
Why CATO?
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