CAS 1393442-14-2: 5-Bromo-4-chloro-2-nitrobenzonitrile

Description: 5-Bromo-4-chloro-2-nitrobenzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a bromine atom, a chlorine atom, and a nitro group, along with a cyano group. The presence of these substituents contributes to its chemical reactivity and physical properties. Typically, compounds like this exhibit moderate to high polarity due to the electronegative halogen and nitro groups, which can influence solubility in various solvents. The compound is likely to be a solid at room temperature, with a crystalline structure that can be analyzed using techniques such as X-ray crystallography. Its synthesis may involve halogenation and nitration reactions, common in organic chemistry. Additionally, the presence of the cyano group suggests potential applications in pharmaceuticals or agrochemicals, as such compounds often serve as intermediates in the synthesis of more complex molecules. Safety data should be consulted, as halogenated compounds can pose health risks and environmental concerns.

Formula: C₇H₂BrClN₂O₂

InChI: InChI=1S/C7H2BrClN2O2/c8-5-1-4(3-10)7(11(12)13)2-6(5)9/h1-2H

InChI key: InChIKey=ZUICMBUZYPVZSU-UHFFFAOYSA-N

SMILES: N#CC1=CC(Br)=C(Cl)C=C1N(=O)=O

5-Bromo-4-chloro-2-nitrobenzonitrile

CAS: 1393442-14-2

Versatile small molecule scaffold

• Formula: C₇H₂BrClN₂O₂
• Purity: Min. 95%
• Molecular weight: 261.46 g/mol