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CS-W001157 4
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6-Bromoisochromane

  • CAS No. 182949-90-2

  • Cat. No. CS-0037712
  • Purity≥98%
  • MDL No.MFCD11226898

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

6-Bromoisochromane|CS-0037712

Structure of 182949-90-2

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General Information

  • CAS No. 182949-90-2
  • Cat. No. CS-0037712
  • Purity ≥98%
  • MDL No. MFCD11226898
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉BrO
  • Molecular Weight 213.07
  • Synonym(s) 6-Bromoisochroman
  • SMILES C1=C2COCCC2=CC(=C1)Br

Description

6-Bromoisochromane offers a strategically positioned bromine atom on a rigid, electron-rich isochromane scaffold. This configuration enables direct functionalization in transition-metal-catalyzed cross-coupling reactions. The compound exhibits enhanced stability under standard handling conditions and integrates efficiently into complex molecular architectures requiring defined spatial orientation.

Application

6-Bromoisochromane serves as a versatile building block in synthetic organic chemistry, enabling direct functionalization at the brominated position via palladium-catalyzed cross-coupling reactions. Its isoindoline core provides inherent stability and favorable solubility for bench-scale operations. The molecule functions effectively in C–H activation strategies and facilitates the construction of complex heterocyclic scaffolds relevant to medicinal chemistry and materials science.

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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   2.5218
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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