4-Bromo-2-chloro-6-methylphenyl isocyanate CAS 77159-77-4
| CAS No. | 77159-77-4 |
| Molecular Formula | C8H5BrClNO |
| Molecular Weight | 246.49 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 4-Bromo-2-chloro-6-methylphenyl isocyanate.
4-Bromo-2-chloro-6-methylphenyl isocyanate (CAS 77159-77-4), molecular formula C8H5BrClNO and molecular weight 246.49 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C8H5BrClNO, 4-Bromo-2-chloro-6-methylphenyl isocyanate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 246.49 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 | C8H5BrClNO |
| Molecular Weight | 246.49 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, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 3-bromo-6-chloro-1H-indazol-5-amine (CAS 1000342-44-8)
- 3-Bromo-6-chloro-7-methylimidazo[1,2-b]pyridazine (CAS 1025066-16-3)
- 7-Bromo-4-chloro-2-methyl-5H-pyrrolo[3,2-d]pyrimidine (CAS 1055057-39-0)
- 5-Bromo-2-(chloromethyl)benzo[d]oxazole (CAS 110704-48-8)
- 5-Bromo-6-chloro-2,3-dihydro-1H-indol-2-one (CAS 1153885-37-0)
- 8-Bromo-6-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyridine (CAS 1159813-15-6)
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Recommended Standards
- 4-Bromo-2-(chloromethyl)benzo[d]oxazole (CAS 944903-32-6)
- 5-(Bromomethyl)-4-chloropyrrolo[2,1-f][1,2,4]triazine (CAS 529508-57-4)
- 3-Bromo-7-chloro-5-methylpyrazolo[1,5-a]pyrimidine (CAS 58347-47-0)
- 5-Amino-4-bromo-2-chloro-6-methylnicotinonitrile (CAS 847060-24-6)
- 2-(2-Chloro-6-fluorophenyl)-4-methylpyrrolidine (CAS 603089-82-3)
- 1-Cyclopentyl-2-(pyridin-2-yl)ethan-1-one (CAS 115045-66-4)
- 9,10-Bis[N,N-di(p-tolyl)amino]anthracene (CAS 177799-16-5)
- 3-Amino-5-fluoro-4-methylbenzoic acid (CAS 103877-75-4)
- Methyl 2-cyclopropyl-4-(trifluoromethyl)benzoate (CAS 1236303-03-9)
- Diphenyl ((1H-benzo[d][1,2,3]triazol-1-yl)(4-chlorophenyl)methyl)phosphonate (CAS 676562-43-9)
- 1-Methyl-3-(4-nitrophenyl)benzene (CAS 952-21-6)
- N-Ethyl-1-methyl-1H-pyrrole-3-carboxamide (CAS 161427-77-6)
- 2-sulfopropanoic acid (CAS 55306-57-5)
- Insulin Degludec Impurity 9 (CAS CATO-C4X-21579)
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