CAS 954226-99-4

4-Bromo-2-[(1-methylethyl)amino]benzonitrile

Description:

4-Bromo-2-[(1-methylethyl)amino]benzonitrile, with the CAS number 954226-99-4, is an organic compound characterized by its aromatic structure, which includes a bromine substituent and a benzonitrile functional group. This compound features a bromo group at the 4-position and an isopropylamino group at the 2-position of the benzene ring. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific solvent properties. The presence of the nitrile group contributes to its potential reactivity, particularly in nucleophilic addition reactions. Additionally, the isopropylamino group can influence its basicity and interaction with biological systems, making it of interest in medicinal chemistry. The compound's molecular structure suggests potential applications in pharmaceuticals, particularly in the development of compounds targeting specific biological pathways. Safety and handling precautions should be observed due to the presence of bromine, which can be hazardous.

Formula: C₁₀H₁₁BrN₂

InChI: InChI=1S/C10H11BrN2/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7,13H,1-2H3

InChI key: InChIKey=YQVAKTNKNMKYEC-UHFFFAOYSA-N

SMILES: N(C(C)C)C1=C(C#N)C=CC(Br)=C1

Synonyms:

• 4-Bromo-2-[(1-methylethyl)amino]benzonitrile
• Benzonitrile, 4-bromo-2-[(1-methylethyl)amino]-

4-Bromo-2-(isopropylamino)benzonitrile

CAS: 954226-99-4

Versatile small molecule scaffold

Formula: C₁₀H₁₁BrN₂

Purity: Min. 95%

Molecular weight: 239.11 g/mol

Ref: 3D-ENB22699