3-Bromo-2-iodobenzonitrile CAS 450412-21-2
| CAS No. | 450412-21-2 |
| Molecular Formula | C7H3BrIN |
| Molecular Weight | 307.91 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-Bromo-2-iodobenzonitrile is closely related to a nitrile group, bromine/iodine substitution, an aromatic ring system in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
3-Bromo-2-iodobenzonitrile (CAS 450412-21-2) is a high-purity analytical reference standard with the molecular formula C7H3BrIN and a molecular weight of 307.91 g/mol.
The molecular framework of 3-Bromo-2-iodobenzonitrile (C7H3BrIN) is characterized by a nitrile group, bromine/iodine substitution, an aromatic ring system. 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.
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 | C7H3BrIN |
| Molecular Weight | 307.91 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 |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br/I-containing |
| Nitrogen Atoms | 1 |
Related Bromo Standards
- 3-Bromo-4-iodobenzonitrile (CAS 1000577-94-5)
- 4-Bromo-3-iodobenzonitrile (CAS 1006715-27-0)
- 5-Bromo-2-iodobenzonitrile (CAS 121554-10-7)
- 2-Bromo-6-iodobenzonitrile (CAS 1245648-93-4)
- 2-Bromo-5-iodobenzonitrile (CAS 1252046-13-1)
- 2-Bromo-3-iodobenzonitrile, 97% (CAS 1261498-04-7)
- 2-Bromo-4-iodobenzonitrile (CAS 1261776-03-7)
- 3-Bromo-5-iodobenzonitrile (CAS 289039-21-0)
Recommended Standards
- 4-Bromo-2-iodobenzonitrile (CAS 944276-67-9)
- 659-18-7 Boric Acid Tris(2,2,2-trifluoroethyl) Ester T3010 Tris(2,2,2-trifluoroethyl) Borate (CAS 659-18-7)
- 2-(Bromomethyl)-1,3-dichloro-4-(trifluoromethyl)benzene (CAS 1092461-07-8)
- 2-(2,5-Dibromophenyl)-2-oxoacetic acid (CAS 1094428-27-9)
- 2-Phenyl-6-(trifluoromethyl)-3-pyridinecarboxylic acid (CAS 149770-28-5)
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- 1,3-Bis(3-carboxypropyl)tetramethyldisiloxane (CAS 3353-68-2)
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