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CS-W001157 4
Total: USD 88.00

6-bromocinnolin-4-ol

  • CAS No. 876-88-0

  • Cat. No. CS-0062417
  • Molecule weight225.04
  • Purity≥95%
  • MDL No.MFCD16659039

*For research and further manufacturing use only, not for direct human use.

6-bromocinnolin-4-ol|CS-0062417

Structure of 876-88-0

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General Information

  • CAS No. 876-88-0
  • Cat. No. CS-0062417
  • Purity ≥95%
  • MDL No. MFCD16659039
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrN₂O
  • Molecular Weight 225.04
  • Synonym(s) 6-Brom-1H-cinnolin-4-on
  • SMILES OC1=C2C=C(Br)C=CC2=NN=C1.

Description

6-Bromocinnolin-4-ol features a brominated cinnolinone core with a phenolic hydroxyl group, enabling direct functionalization in cross-coupling reactions. The electron-deficient heteroaromatic scaffold supports robust reactivity in palladium-catalyzed transformations. This bench-stable compound integrates readily into pharmaceutical and agrochemical synthesis pathways.

Application

6-Bromocinnolin-4-ol serves as a versatile building block for the synthesis of cinnolinone-based scaffolds, enabling direct functionalization at the C6 position via palladium-catalyzed cross-coupling. Its phenolic hydroxyl group provides site-specific reactivity for derivatization, while the bromine moiety offers high compatibility with standard coupling protocols. Bench-stable and readily purified by crystallization, it facilitates efficient access to biologically relevant heterocycles in medicinal chemistry and materials science applications.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319
Precautionary Statements : P261-P302+P352

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Computational Chemistry Data

  • TPSA   46.01
  • LogP   2.0979
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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