4-Bromo-7-chloroisoquinoline CAS 953421-72-2
| CAS No. | 953421-72-2 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
4-Bromo-7-chloroisoquinoline (CAS 953421-72-2), molecular formula C9H5BrClN and molecular weight 242.50 g/mol, is a CATO reference standard with documented purity and traceability.
4-Bromo-7-chloroisoquinoline (C9H5BrClN) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, chlorine/bromine substitution. Halogen substitution raises its density and boiling point; 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.
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 | C9H5BrClN |
| Molecular Weight | 242.50 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 8-Bromo-3-chloroisoquinoline (CAS 1029720-63-5)
- 7-Bromo-3-chloroisoquinoline (CAS 1029720-65-7)
- 5-Bromo-3-chloroisoquinoline (CAS 1029720-67-9)
- 6-Bromo-7-chloroisoquinoline (CAS 1036712-54-5)
- 2-Bromo-7-chloroquinoline (CAS 1044764-18-2)
- 6-Bromo-2-chloronicotinic acid (CAS 1060815-67-9)
- 8-Bromo-5-chloroquinoline (CAS 1154741-20-4)
- 1-Bromo-6-chloroisoquinoline (CAS 1196146-81-2)
Recommended Standards
- 4-Bromo-2-chloroquinoline (CAS 83674-64-0)
- 5-Bromo-1-chloroisoquinoline (CAS 34551-41-2)
- 4-Bromo-1-chloroisoquinoline (CAS 66728-98-1)
- 5-Bromo-2-chloroquinoline (CAS 99455-13-7)
- 1-bromocyclobutanecarbonitrile (CAS 39994-98-4)
- 3-Hydroxy-4-phenylbutan-2-one (CAS 5355-63-5)
- 5-(4-Iodophenyl)furan-2-carbaldehyde (CAS 64251-78-1)
- 2-(3-Aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one (CAS 1248563-99-6)
- CHloro(methyldiphenylphosphine)gold(I) (CAS 38686-38-3)
- Methyl 2-{4-[4-(trifluoromethyl)phenyl]phenyl}acetate (CAS 1417525-85-9)
- Mosapride Impurity 6 (CAS CATO-C4X-10446)
- 2-(dimethylamino)acetohydrazide (CAS 55-85-6)
- Cucurbitacin D (CAS 3877-86-9)
- Liraglutide Impurity 10 TFA Salt (CAS CATO-C4X-199210)
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