6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one CAS 5791-00-4
| CAS No. | 5791-00-4 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.62 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 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one.
CATO supplies 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one (CAS 5791-00-4), a certified reference material (molecular formula C9H8ClNO2, MW 197.62 g/mol) for analytical method development and quality control.
The molecular framework of 6-Chloro-2-methyl-2,4-dihydro-1,4-benzoxazin-3-one (C9H8ClNO2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine 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.
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 | C9H8ClNO2 |
| Molecular Weight | 197.62 g/mol |
| Appearance | Off-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; 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.) | 1958 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
- 6-Chloro-2-cyclopropylnicotinic acid (CAS 862695-75-8)
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- 6-Chloro-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-ol (CAS 478077-86-0)
- 6-Chloro-7-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 99779-15-4)
- 5-Bromo-2-chloro-3,3'-bipyridine (CAS 942206-00-0)
- N,N-Dimethyl-1-(thiazol-2-yl)ethanamine (CAS 1417793-59-9)
- 7-Amino-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one (CAS 115012-14-1)
- 7-Oxo-7,8-dihydro-1,8-naphthyridine-2-carbaldehyde (CAS 959617-00-6)
- Bempedoic Acid Impurity 39 (CAS CATO-C4X-218939)
- (3-Bromo-2-fluoropropyl)benzene (CAS 105198-14-9)
- 7-chloro-2-(2-methylphenyl)[1,3]oxazolo[5,4-d]pyrimidine (CAS 1018053-24-1)
- 4-(4-Nitrophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine (CAS 89549-86-0)
- 4-trans-Propylcyclohexyl-4'-pentylbiphenyl (CAS 89356-09-2)
- Semaglutide impurity 235 (CAS CATO-C4X-2226235)
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