2-Bromo-46-dimethylphenylisocyanate CAS 78831-81-9
| CAS No. | 78831-81-9 |
| Molecular Formula | C9H8BrNO |
| Molecular Weight | 226.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Bromo-46-dimethylphenylisocyanate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-Bromo-46-dimethylphenylisocyanate (CAS 78831-81-9) is a high-purity analytical reference standard with the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol.
2-Bromo-46-dimethylphenylisocyanate (C9H8BrNO) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-Bromo-46-dimethylphenylisocyanate 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 | C9H8BrNO |
| Molecular Weight | 226.07 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 |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
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Recommended Standards
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- (1R,2R,4S,5S,6R)-5-Hydroxy-3,7,9-Trioxatricyclo[4.2.1.02,4]nonane (CAS 3868-04-0)
- 6-(Hydroxy(methyl)amino)-9H-purin-2-amine (CAS 60254-49-1)
- N-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(diethylamino)acetamide (CAS 338749-78-3)
- 2-((4-(Piperidin-1-yl)but-2-yn-1-yl)oxy)ethan-1-ol (CAS 36827-81-3)
- Cefcapene Impurity 70 (CAS CATO-C4X-182470)
- 5-Methyl-7-nitro-1H-indazole (CAS 113302-88-8)
- 1-(4-Chloro-pyridin-2-yl)-piperazine dihydrochloride (CAS 1187932-16-6)
- Crustacean Cardioactive Peptide (CAS 107090-96-0)
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