4-Bromo-2-methyl-3-oxobutanenitrile CAS 81056-51-1
| CAS No. | 81056-51-1 |
| Molecular Formula | C5H6BrNO |
| Molecular Weight | 176.01 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 176.01 g/mol gives 4-Bromo-2-methyl-3-oxobutanenitrile distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
4-Bromo-2-methyl-3-oxobutanenitrile (CAS 81056-51-1), molecular formula C5H6BrNO and molecular weight 176.01 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C5H6BrNO, 4-Bromo-2-methyl-3-oxobutanenitrile contains an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 176.01 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
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 | C5H6BrNO |
| Molecular Weight | 176.01 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.) | 1980 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 5-Bromo-1,4-dimethyl-1H-1,2,3-triazole (CAS 1040275-55-5)
- 4-Bromo-3,5-dimethylisoxazole (CAS 10558-25-5)
- 1240612-08-1 2-Bromo-4,5-dimethyl-1,3-oxazole DTXSID50622352 (CAS 1240612-08-1)
- 4-Bromo-2-ethyl-2H-1,2,3-triazole (CAS 1248676-97-2)
- 3-Bromo-5,6-dihydropyridin-2(1H)-one (CAS 1258849-38-5)
- 5-Bromo-3-ethyl-isoxazole (CAS 1314961-74-4)
- 5-Bromo-2-ethyloxazole (CAS 1391740-26-3)
- 4-Bromo-1-ethyl-1H-1,2,3-triazole (CAS 1393532-87-0)
Recommended Standards
- 4-Bromo-2,5-dimethyl-2H-1,2,3-triazole (CAS 942060-54-0)
- 4-Bromopyridin-2(1H)-One (CAS 947407-84-3)
- 4-Bromo-1,5-dimethyl-1H-1,2,3-triazole (CAS 885877-41-8)
- 5-(Bromomethyl)-2-methyloxazole (CAS 82190-68-9)
- 4-Methyl-N-(2-(p-tolyloxy)ethyl)aniline (CAS 200806-88-8)
- Fmoc-5,6-Dehydrohomoleucine (CAS 1369532-04-6)
- (3-Ethylphenyl)(phenyl)methanol (CAS 108125-13-9)
- 2-{2-[4-(3-nitrophenyl)piperazin-1-yl]ethyl}-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-3-one (CAS 1263386-35-1)
- 4-((3,5-Bis(methoxycarbonyl)phenyl)amino)-4-oxobutanoic acid (CAS 540791-94-4)
- (2R,3R,4R,5R)-5-(2-Amino-6-ethoxy-9H-purin-9-yl)-4-fluoro-2-(hydroxymethyl)-4-methyltetrahydrofuran-3-ol (CAS 1199809-30-7)
- 5-Cyclopropyl-1,2,4-oxadiazol-3-amine (CAS 868696-42-8)
- 2-Methyl-1-(3,4,5-trimethoxyphenyl)-1H-benzo[d]imidazole-5-carboxylic acid (CAS 452088-74-3)
- Tiamulin EP Impurity B (CAS 7708-55-6)
- Casein Kinase II Receptor Peptide (CAS 198481-81-1)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com