3-bromo-2-methylbenzonitrile
$300.00
CAS No.: 52780-15-1
Catalog No.: 196528
Purity: 95%
MF: C8H6BrN
MW: 196.047
Storage: 2-8 degree Celsius
SMILES: BrC=1C(=C(C#N)C=CC1)C
Catalog No.: 196528
Purity: 95%
MF: C8H6BrN
MW: 196.047
Storage: 2-8 degree Celsius
SMILES: BrC=1C(=C(C#N)C=CC1)C
3-bromo-2-methylbenzonitrile; CAS No.: 52780-15-1; 3-bromo-2-methylbenzonitrile. PROPERTIES: 3-bromo-2-methylbenzonitrile is a colorless liquid with a molecular formula of C8H6BrN. It has a molecular weight of 196.04 g/mol and a boiling point of approximately 178-180 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: 68 C) and a category 2 skin irritant. APPLICATIONS: 3-bromo-2-methylbenzonitrile serves as a versatile intermediate in the synthesis of various agrochemicals, particularly those targeting herbicidal 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 group participates 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 group contributes to favorable electronic properties. Its unique electronic configuration makes it valuable in the synthesis of chiral ligands for asymmetric catalysis, particularly in rhodium-catalyzed hydroformylation reactions.
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