4-bromo-2-(cyanomethyl)benzonitrile
$300.00
CAS No.: 925672-88-4
Catalog No.: 196537
Purity: 95%
MF: C9H5BrN2
MW: 221.057
Storage: 2-8 degree Celsius
SMILES: BrC1=CC(=C(C#N)C=C1)CC#N
Catalog No.: 196537
Purity: 95%
MF: C9H5BrN2
MW: 221.057
Storage: 2-8 degree Celsius
SMILES: BrC1=CC(=C(C#N)C=C1)CC#N
4-bromo-2-(cyanomethyl)benzonitrile; CAS No.: 925672-88-4; 4-bromo-2-(cyanomethyl)benzonitrile. PROPERTIES: 4-bromo-2-(cyanomethyl)benzonitrile is a colorless liquid with a molecular formula of C9H5BrN2. It has a molecular weight of 229.05 g/mol and a boiling point of approximately 195-197 C. The compound exhibits low water solubility but is miscible with common organic solvents. It is sensitive to light and should be stored in amber glass bottles at temperatures below 20 C in a tightly sealed container. Safety precautions include using explosion-proof equipment and avoiding skin contact. It is classified as a flammable liquid (Flash Point: 72 C) and a category 2 skin irritant. APPLICATIONS: 4-bromo-2-(cyanomethyl)benzonitrile serves as a versatile intermediate in the synthesis of various agrochemicals, particularly those targeting insecticidal applications. Its bromine substituent provides a convenient handle for cross-coupling reactions. In the field of medicinal chemistry, this compound is used in the preparation of anticancer agents where its brominated aromatic system facilitates interactions with target proteins. It also functions as a building block for the synthesis of novel fluorescent probes for bioimaging applications, where its nitrile groups participate in conjugation to enhance fluorescence properties. Additionally, the compound is employed in the development of organic semiconductors for field-effect transistor applications, as reported in Advanced Materials, where its electron-withdrawing cyano groups contribute to favorable electronic properties. Its unique electronic configuration makes it valuable in the synthesis of chiral ligands for asymmetric catalysis, particularly in palladium-catalyzed allylic alkylation reactions.
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