7-Chloro-3-(hydroxymethyl)-4-methoxy-2-methyl-isoquinolin-1-one CAS 447418-94-2
| CAS No. | 447418-94-2 |
| Molecular Formula | C12H12ClNO3 |
| Molecular Weight | 253.68 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
7-Chloro-3-(hydroxymethyl)-4-methoxy-2-methyl-isoquinolin-1-one (CAS 447418-94-2), molecular formula C12H12ClNO3 and molecular weight 253.68 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 7-Chloro-3-(hydroxymethyl)-4-methoxy-2-methyl-isoquinolin-1-one (C12H12ClNO3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 253.68 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), 7-Chloro-3-(hydroxymethyl)-4-methoxy-2-methyl-isoquinolin-1-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 | C12H12ClNO3 |
| Molecular Weight | 253.68 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- 8-Chloro-2-(2-hydroxyethyl)-5-methoxy-isoquinolin-1-one (CAS 2114109-50-9)
- 2-(cyclohex-1-en-1-yl)pyridine (CAS 14159-55-8)
- 1-Hydroxy-2,3-bis(4-methoxyphenyl)indolizine-7-carbaldehyde (CAS 85482-30-0)
- 1H-Pyrrolo[2,3-c]pyridine-2,3-dione (CAS 92635-33-1)
- 5-Chloro-2-methylpyridine hydrate (CAS 1881288-70-5)
- Pomalidomide-5'-C5-acid (CAS 2205014-90-8)
- 2-(Methylthio)-1-(piperazin-1-yl)ethan-1-one (CAS 1042793-62-3)
- N-(3-chlorobenzyl)-2-nitrobenzenesulfonamide (CAS 866151-88-4)
- 4-Amino-N,1-dimethyl-N-phenyl-1H-pyrazole-3-carboxamide (CAS 1489360-97-5)
- 2-(1-methylcyclopropyl)-1-(pyridin-4-yl)propan-2-ol (CAS 1528577-82-3)
- Semaglutide impurity 229 (CAS CATO-C4X-2226229)
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