5-Bromo-2-iodobenzonitrile
5-Bromo-2-iodobenzonitrile
Synonyms: 2-Iodo-5-bromobenzonitrile, 2-Cyano-4-bromoiodobenzene, 5-Bromo-2-iodobenzenecarbonitrile
CAS No.: 121554-10-7
MDL No.: MFCD00672950
EC No.: 601-788-4
Molecular Formula: C7H3BrIN
Molecular Weight: 307.91
Appearance: White to pale beige crystalline powder, prone to yellow discoloration under light exposure
Melting Point: 120–122 ℃
Boiling Point (Predicted): 310.4±27.0 ℃ (760 mmHg)
Flash Point: 141.5 ℃
Density: 2.13 g/cm³
Storage Requirements
Pack in brown light-proof sealed containers, store at dry room temperature 5–25 ℃, strictly avoid direct sunlight.
Store separately; do not co-store with strong alkalis, strong reductants, active metals or organic amines to prevent dehalogenation side reactions.
Keep packaging fully airtight to isolate air and moisture; standard shelf life is 12 months.
Separate from open flames, high-temperature ovens and heat sources, maintain well ventilated and dry warehouse.
Safety Operation Guidelines
All operations must be performed in fume hoods with solvent-resistant nitrile gloves, fully enclosed chemical safety goggles and dust & organic vapor respirators.
GHS Hazard Label: Signal word Warning; Hazard Statements H302 (Harmful if swallowed), H315 (Causes skin irritation), H319 (Causes serious eye irritation), H335 (May cause respiratory irritation). UN 3439, Class 6.1 toxic substance, Packing Group III.
Skin contact: Rinse thoroughly with plenty of running water and detergent for 15 minutes. Eye contact: Flush eyes continuously with clean water for 15 minutes and seek immediate medical treatment. Do not induce vomiting if swallowed; seek prompt medical care.
Waste mother liquor and solid residues are halogen-containing hazardous organic waste; discharge into sewers is forbidden, deliver to qualified hazardous waste disposal institutions for dedicated treatment.
Classified as Class 6.1 toxic chemicals for transportation; transport under light-shielded, moisture-proof and rain-proof conditions, mixed loading with acidic, alkaline or reducing materials is prohibited.
Purity: ≥98% HPLC
Key intermediate for small-molecule targeted drugs: Synthesis of Abl, JAK, BTK kinase inhibitors, anti-tumor and anti-inflammatory drug candidates.
Building block for stepwise selective coupling: Utilize iodine/bromine activity difference to construct multi-substituted aromatic and heterocyclic drug skeletons.
Research reagent for organic synthesis: Process development of Suzuki, Heck, Buchwald and Sonogashira coupling reactions.
Raw material for fused nitrogen heterocycles: Synthesize isoquinoline, quinoline, pyrimidine and benzimidazole bioactive molecules via cyano cyclization.
Intermediate for liquid crystal and optoelectronic functional organic materials.
High-purity chromatographic reference standard (99% high-purity grade).
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