4-bromo-7-fluoroisoquinoline
$400.00
CAS No.: 1416500-77-0
Catalog No.: 191988
Purity: 95%
MF: C9H5BrFN
MW: 226.048
Storage: 2-8 degree Celsius
SMILES: BrC1=CN=CC2=CC(=CC=C12)F
Catalog No.: 191988
Purity: 95%
MF: C9H5BrFN
MW: 226.048
Storage: 2-8 degree Celsius
SMILES: BrC1=CN=CC2=CC(=CC=C12)F
4-bromo-7-fluoroisoquinoline; CAS No.: 1416500-77-0;4-bromo-7-fluoroisoquinoline. PROPERTIES: 4-bromo-7-fluoroisoquinoline is a polyhalogenated isoquinoline derivative with molecular formula C9H5BrFNN. This crystalline compound typically appears as colorless needles and has a melting point between 110-115 C. The molecule features an isoquinoline core with a bromine atom at position 4 and a fluorine atom at position 7. The 4-bromo-7-fluoroisoquinoline exhibits moderate basic character due to the isoquinoline nitrogen, with a pKa value around 4.5 for the conjugate acid. It shows good solubility in common organic solvents like dichloromethane and limited solubility in water. Proper storage requires maintaining in a tightly sealed container with appropriate drying agents, stored below 20 C to prevent hydrolytic degradation. Safety measures include using chemical splash goggles and acid-resistant gloves, as the compound can cause serious eye damage and skin corrosion. It is classified under GHS with H314 and H318 hazard statements for causing severe skin burns and eye damage. APPLICATIONS: The 4-bromo-7-fluoroisoquinoline molecule serves as a valuable intermediate in the synthesis of isoquinoline-based antitubercular agents, as reported in medicinal chemistry research focusing on infectious disease treatments. The bromo and fluoro substituents provide sites for further functionalization via cross-coupling and nucleophilic substitution reactions. Additionally, 4-bromo-7-fluoroisoquinoline derivatives have been explored in materials science for creating photoactive molecules with interesting optoelectronic properties, as described in chemical physics publications. The compound's ability to form coordination complexes with metal ions has also made it useful in developing chemical sensors for metal detection, as documented in analytical chemistry studies emphasizing selective ion recognition.
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