Description

2-Amino-5-bromo-4-fluorobenzonitrile (CAS No. 1334331-01-9) is a high-purity aromatic compound with the molecular formula C₇H₄BrFN₂. This fine chemical features a benzonitrile core substituted with amino, bromo, and fluoro functional groups, making it a versatile intermediate for pharmaceutical and agrochemical synthesis. Its IUPAC name is 2-amino-5-bromo-4-fluorobenzonitrile, and it is available as a crystalline solid with ≥95% purity (HPLC). The compound is particularly valuable in cross-coupling reactions and as a building block for heterocyclic compounds. Proper storage conditions (2-8°C in a dry environment) are recommended to maintain stability. Offered in research quantities (100mg to 10g) with optional analytical certificates.

Properties

• CAS Number: 1334331-01-9
• Complexity: 188
• IUPAC Name: 2-amino-5-bromo-4-fluoro-benzonitrile
• InChI: InChI=1S/C7H4BrFN2/c8-5-1-4(3-10)7(11)2-6(5)9/h1-2H,11H2
• InChI Key: SJATVCKBWOESRY-UHFFFAOYSA-N
• Exact Mass: 213.95419
• Molecular Formula: C7H4BrFN2
• Molecular Weight: 215.02
• SMILES: C1=C(C(=CC(=C1Br)F)N)C#N
• Topological: 49.8
• Monoisotopic Mass: 213.95419
• Synonyms: 2-Amino-5-bromo-4-fluorobenzonitrile, 1334331-01-9, 5-Bromo-4-fluoroanthranilonitrile, 4-Bromo-2-cyano-5-fluoroaniline, MFCD23098943, SCHEMBL12225106, SJATVCKBWOESRY-UHFFFAOYSA-N, CL9731, AKOS026675605, PS-7952, DB-134563, CS-0136732

Application

This compound serves as a key intermediate in medicinal chemistry for developing kinase inhibitors and other bioactive molecules. Researchers utilize its bromo and amino groups for palladium-catalyzed coupling reactions in drug discovery programs. The electron-withdrawing cyano and fluoro substituents make it particularly useful for constructing fluorinated pharmaceutical scaffolds with enhanced metabolic stability.

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