Imidodicarbonic acid, N-[6-(bromomethyl)-3-fluoro-2-pyridinyl]-, C,C′-bis(1,1-dimethylethyl) ester CAS 2711741-77-2
| CAS No. | 2711741-77-2 |
| Molecular Formula | C16H22BrFN2O4 |
| Molecular Weight | 405.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies Imidodicarbonic acid, N-[6-(bromomethyl)-3-fluoro-2-pyridinyl]-, C,C′-bis(1,1-dimethylethyl) ester (CAS 2711741-77-2), a certified reference material (molecular formula C16H22BrFN2O4, MW 405.26 g/mol) for analytical method development and quality control.
Based on its molecular formula C16H22BrFN2O4, Imidodicarbonic acid, N-[6-(bromomethyl)-3-fluoro-2-pyridinyl]-, C,C′-bis(1,1-dimethylethyl) ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 405.26 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.
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 | C16H22BrFN2O4 |
| Molecular Weight | 405.26 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 2 |
Related Imidodicarbonic Standards
- Imidodicarbonic acid, (2-bromo-4-fluoro-6-nitrophenyl)-, bis(1,1-dimethylethyl) ester (CAS 880384-52-1)
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- Imidodicarbonic acid, 2-(4-bromo-2,6-dichlorophenyl)-, 1,3-bis(1,1-dimethylethyl) ester (CAS 915145-00-5)
- IMidodicarbonic acid, 2-(3-nitro-2-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester (CAS 1044758-23-7)
- IMidodicarbonic acid, 2-(5-nitro-2-pyridinyl)-, 1,3-bis(1,1-dimethylethyl) ester (CAS 509150-43-0)
- Imidodicarbonic acid, 2-(3-methylenecyclobutyl)-, 1,3-bis(1,1-dimethylethyl) ester (CAS 1958091-82-1)
- 287389-41-7 (~13~C_2_)-2-Imidodicarbonic diamide DTXSID80745669 (CAS 287389-41-7)
Recommended Standards
- Ethyl 2-[1-(4-bromobenzenesulfonyl)-3-oxopiperazin-2-yl]acetate (CAS 318288-66-3)
- 2-((3-(4-Bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetohydrazide (CAS 133764-46-2)
- 4-(4-((4-Bromophenyl)sulfonyl)piperazin-1-yl)-4-oxobutanoic acid (CAS 893725-68-3)
- (E)-N-(4-iodophenyl)-3-(4-isobutylphenyl)acrylamide (CAS 329778-61-2)
- (R)-1-(2-(Diphenylphosphanyl)phenyl)-N-methylethan-1-amine (CAS 1332500-23-8)
- Enzyme-IN-1 (CAS 868540-02-7)
- 2-Phenyl-1-(3-(trifluoromethyl)phenyl)ethan-1-one (CAS 1533-04-6)
- Roxadustat Impurity 93 (CAS CATO-C4X-221393)
- 1-(4-Chlorophenyl)cyclobutane-d6 Carbonitrile (CAS 1217114-23-2)
- 2-Chloro-3-fluoro-4-(methylthio)pyridine (CAS 1826110-14-8)
- 7-Chloro-N-(4-fluorophenyl)quinazolin-4-amine (CAS 477856-23-8)
- Methyl 3-Cyano-5-(trifluoromethyl)benzoate (CAS 942077-15-8)
- 6-chloro-2-methyl-chromen-4-one (CAS 69693-00-1)
- (Tyr?)-C-Type Natriuretic Peptide (32-53) (human, porcine, rat) (CAS 142878-79-3)
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