Description

2-Amino-5-bromo-3-fluorobenzonitrile (CAS No. 1209498-46-3) is a high-purity aromatic compound with the molecular formula C₇H₄BrFN₂. This specialized chemical features a benzonitrile core substituted with amino, bromo, and fluoro functional groups, making it a valuable intermediate for pharmaceutical and agrochemical synthesis. With a molecular weight of 215.03 g/mol, it is supplied as a crystalline solid with ≥95% purity (HPLC). Ideal for cross-coupling reactions, nucleophilic substitutions, and heterocycle formation, this compound is rigorously tested for consistency and stored under controlled conditions to ensure stability. Available in research quantities (100mg to 10g) with optional custom packaging. SDS and analytical data (NMR, MS, HPLC) provided upon request.

Properties

• CAS Number: 1209498-46-3
• Complexity: 188
• IUPAC Name: 2-amino-5-bromo-3-fluoro-benzonitrile
• InChI: InChI=1S/C7H4BrFN2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-2H,11H2
• InChI Key: SRNMCPRKRDYFPG-UHFFFAOYSA-N
• Exact Mass: 213.95419
• Molecular Formula: C7H4BrFN2
• Molecular Weight: 215.02
• SMILES: C1=C(C=C(C(=C1C#N)N)F)Br
• Topological: 49.8
• Monoisotopic Mass: 213.95419
• Synonyms: 2-amino-5-bromo-3-fluorobenzonitrile, 1209498-46-3, DTXSID90676495, DTXCID30627244, 861-704-9, 2-Amino-5-bromo-3-fluoro-benzonitrile, MFCD17011768, SCHEMBL3230060, CHEMBL4985824, JYB49846, AKOS015854701, DB-084685, CS-0456945, C90883, EN300-250964, Z1269191653

Application

2-Amino-5-bromo-3-fluorobenzonitrile serves as a key building block in medicinal chemistry for the development of kinase inhibitors and CNS-active compounds. Its reactive bromo and amino groups enable Suzuki-Miyaura couplings and Buchwald-Hartwig aminations. The electron-withdrawing nitrile and fluoro substituents enhance its utility in nucleophilic aromatic substitution reactions. Researchers employ this intermediate in the synthesis of fluorinated heterocycles for drug discovery programs targeting oncology and neurological disorders.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.