4-((6-Bromo-2,3-dihydro-2-methyl-3-oxobenzo[b][1,4]oxazin-4-yl)methyl)benzonitrile CAS 1159978-63-8
| CAS No. | 1159978-63-8 |
| Molecular Formula | C17H13BrN2O2 |
| Molecular Weight | 357.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-((6-Bromo-2,3-dihydro-2-methyl-3-oxobenzo[b][1,4]oxazin-4-yl)methyl)benzonitrile (C17H13BrN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-((6-Bromo-2,3-dihydro-2-methyl-3-oxobenzo[b][1,4]oxazin-4-yl)methyl)benzonitrile (CAS 1159978-63-8) is a high-purity analytical reference standard with the molecular formula C17H13BrN2O2 and a molecular weight of 357.20 g/mol.
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), 4-((6-Bromo-2,3-dihydro-2-methyl-3-oxobenzo[b][1,4]oxazin-4-yl)methyl)benzonitrile 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 | C17H13BrN2O2 |
| Molecular Weight | 357.20 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
Related Bromo Standards
- 5-Bromo-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (CAS 1188037-01-5)
- 3-Bromo-8-hydroxy-6,6-dimethylnaphtho[2,3-b]benzofuran-11(6H)-one (CAS 1256588-93-8)
- (5-BRomo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl) cyclopropane carboxamide (CAS 583038-29-3)
- 1-[5-bromo-2-(2-ethoxyethoxy)phenyl]hexahydropyrimidine-2,4-dione (CAS 2703773-95-7)
- 4-Bromo-2-phenyl-5-(p-tolyloxy)pyridazin-3(2H)-one (CAS 866018-27-1)
- N-(4-Bromo-2-methylphenyl)-2-(1H-indol-3-yl)-2-oxoacetamide (CAS 852367-91-0)
- 4-Bromo-N-(4-nitrophenyl)benzenesulfonamide (CAS 17648-92-9)
- 4-Bromo-3-methoxyphenyl 4-methylbenzenesulfonate (CAS 137396-01-1)
Recommended Standards
- 1,1,2,2,3,3,4,4,4-Nonafluoro-N-(2-hydroxyethyl)-N-methyl-1-butanesulfonamide (CAS 34454-97-2)
- 2-(4-Aminophenyl)-6-bromo-8-methylquinoline-4-carboxylic acid (CAS 1160264-26-5)
- Diclofop-Methyl-5-Hydroxy (CAS 124992-48-9)
- Tert-butyl 3-iodo-7-methyl-1H-indole-1-carboxylate (CAS 914349-35-2)
- N-(2,4-dichlorophenyl)-N-(2-oxo-2-(piperidin-1-yl)ethyl)methanesulfonamide (CAS 343374-06-1)
- 4-(2-(Isopropylthio)acetyl)benzonitrile (CAS 1178851-59-6)
- 1-(5-Fluoro-6-methylpyridin-2-yl)ethanone (CAS 1256792-36-5)
- 1-Benzyl-6,7-dimethoxy-3,4-dihydroisoquinoline (CAS 4876-00-0)
- 2-Amino-5-fluoro-3-methylbenzoic acid (CAS 874804-25-8)
- 1-Phenyl-1H-indole-2,3-dione 3-[N-(2-chlorophenyl)hydrazone] (CAS 320422-14-8)
- 2-[(4-{[(5-Methyl-3-isoxazolyl)amino]sulfonyl}anilino)carbonyl]cyclohexanecarboxylic acid (CAS 799250-54-7)
- (2S,3S)-2-(1-phenyl-1H-pyrazol-4-yl)tetrahydrofuran-3-carboxylic acid (CAS 1820579-51-8)
- 4-Bromo-2-(3,3-difluoropiperidin-1-yl)benzaldehyde (CAS 1713160-75-8)
- Semaglutide impurity 88 (CAS CATO-C4X-222688)
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