1-Bromo-1-cyano-3,3-dimethylbutan-2-one CAS 89563-44-0
| CAS No. | 89563-44-0 |
| Molecular Formula | C7H10BrNO |
| Molecular Weight | 204.06 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 204.06 g/mol gives 1-Bromo-1-cyano-3,3-dimethylbutan-2-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
1-Bromo-1-cyano-3,3-dimethylbutan-2-one (CAS 89563-44-0), molecular formula C7H10BrNO and molecular weight 204.06 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-Bromo-1-cyano-3,3-dimethylbutan-2-one (C7H10BrNO) is characterized by an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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.
As a certified reference material (CRM), 1-Bromo-1-cyano-3,3-dimethylbutan-2-one 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.
Physical & Chemical Properties
| Molecular Formula | C7H10BrNO |
| Molecular Weight | 204.06 g/mol |
| Appearance | White to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1982 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 1-(3,5-Dichlorophenyl)guanidine (CAS 46113-33-1)
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- 2,4-Dichloro-5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine (CAS 856970-31-5)
- 3-Amino-5-chloro-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylic acid (CAS 1172244-72-2)
- Ethyl 2-amino-4,5,6,7-tetrahydrobenzofuran-3-carboxylate (CAS 302949-13-9)
- 5-((3,4-Dimethylphenoxy)methyl)-4-ethyl-4H-1,2,4-triazole-3-thiol (CAS 588673-94-3)
- 4-Amino-1-(4-fluorophenyl)pyrrolidin-2-one hydrochloride (CAS 1177351-65-3)
- 1,3-Benzenedicarboxylic acid, polymer with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate and 2-oxepanone (CAS 41238-51-1)
- Ethanaminium, N,N,N-trimethyl-, hydroxide (CAS 30382-83-3)
- 5-Ethoxy-1H-benzo[d]imidazole-2-carbonitrile (CAS 156308-69-9)
- 1-([1,1'-Biphenyl]-4-yl)-3-(4-(4-hydroxyphenyl)piperazin-1-yl)propan-1-one (CAS 477328-81-7)
- 4-(5-(Chloromethyl)-1,2,4-oxadiazol-3-yl)-N-cyclohexyl-N-methylbenzamide (CAS 1119449-62-5)
- Semaglutide impurity 42 (CAS CATO-C4X-222642)
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