2-Bromo-1-isocyanato-4-methylbenzene CAS 71189-13-4
| CAS No. | 71189-13-4 |
| Molecular Formula | C8H6BrNO |
| Molecular Weight | 212.04 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 212.04 g/mol gives 2-Bromo-1-isocyanato-4-methylbenzene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Bromo-1-isocyanato-4-methylbenzene (CAS 71189-13-4), molecular formula C8H6BrNO and molecular weight 212.04 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-Bromo-1-isocyanato-4-methylbenzene (C8H6BrNO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine 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).
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-1-isocyanato-4-methylbenzene 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 | C8H6BrNO |
| Molecular Weight | 212.04 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.) | 1977 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 3-Bromo-2-hydroxy-5-methylbenzonitrile (CAS 1032506-48-1)
- 2-Bromo-3-(hydroxymethyl)benzonitrile (CAS 1086429-88-0)
- 4-Bromo-6,7-dihydro-5H-cyclopenta[c]pyridin-5-one (CAS 1114333-08-2)
- 6-Bromo-1H-indol-3-ol (CAS 114224-27-0)
- 4-Bromo-7-hydroxyindole (CAS 1167056-91-8)
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- 4-Bromo-3-methoxybenzonitrile (CAS 120315-65-3)
Recommended Standards
- 2-(Bromomethyl)benzoxazole (CAS 73101-74-3)
- 2-Bromo-4-(hydroxymethyl)benzonitrile (CAS 90110-97-7)
- 2-(4-Bromophenyl)-2-hydroxyacetonitrile (CAS 58289-69-3)
- 2-Bromo-4-cyanobenzyl alcohol (CAS 90110-98-8)
- 2-Bromo-N-[4-(4-morpholinylcarbonyl)phenyl]-acetamide (CAS 926310-51-2)
- 1-((5-Bromopentyl)oxy)-3-methylbenzene (CAS 92849-03-1)
- 7α,27-Dihydroxy-4-cholesten-3-one (CAS 192187-67-0)
- 7-Methylbenzo[d][1,2,3]thiadiazole (CAS 78805-01-3)
- 2-(3-Chlorophenyl)butanoic acid (CAS 188014-55-3)
- 2H-Indazole-6-carbaldehyde (CAS 1196064-77-3)
- 8-Iodo-6-methylimidazo[1,2-a]pyridine (CAS 955942-40-2)
- 6-Hydroxypyridine-2-boronic Acid Pinacol Ester (CAS 1310405-04-9)
- Vildagliptin Impurity 20 (CAS 1983839-19-1)
- Neuropeptide W-23 (rat) (CAS 383415-89-2)
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