CAS 458550-45-3

3-[(4-Bromophenyl)amino]benzonitrile

Description:

3-[(4-Bromophenyl)amino]benzonitrile, with the CAS number 458550-45-3, is an organic compound characterized by its aromatic structure, which includes a benzonitrile moiety and a 4-bromophenyl amino group. This compound features a nitrile functional group (-C≡N) attached to a benzene ring, which contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and materials science. The presence of the bromine atom enhances its electrophilic properties, making it useful in further chemical modifications. Additionally, the amino group (-NH2) can participate in hydrogen bonding, influencing its solubility and interaction with biological systems. The compound is typically solid at room temperature and may exhibit specific melting and boiling points, depending on its purity and crystalline form. Its synthesis often involves coupling reactions, and it may be analyzed using techniques such as NMR spectroscopy, mass spectrometry, and HPLC for purity assessment and structural confirmation. Overall, 3-[(4-Bromophenyl)amino]benzonitrile is a versatile compound with significant potential in chemical research and development.

Formula: C₁₃H₉BrN₂

InChI: InChI=1S/C13H9BrN2/c14-11-4-6-12(7-5-11)16-13-3-1-2-10(8-13)9-15/h1-8,16H

InChI key: InChIKey=KNBAHWVBIOSXQS-UHFFFAOYSA-N

SMILES: N(C1=CC(C#N)=CC=C1)C2=CC=C(Br)C=C2

Synonyms:

• Benzonitrile, 3-[(4-bromophenyl)amino]-
• 3-[(4-Bromophenyl)amino]benzonitrile

3-(4-Bromo-phenylamino)-benzonitrile

CAS: 458550-45-3

Formula: C₁₃H₉BrN₂

Molecular weight: 273.1280

Ref: IN-DA00D942

N-(4-Bromophenyl-N-(3-cyanophenyl)amine

CAS: 458550-45-3

Formula: C₁₃H₉BrN₂

Purity: 97.0%

Molecular weight: 273.133

Ref: 10-F041081