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CS-W001157 4
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4-Bromo-7-methyl-1H-indole

  • CAS No. 936092-87-4

  • Cat. No. CS-0043177
  • Purity≥98%
  • MDL No.MFCD08272256

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

4-Bromo-7-methyl-1H-indole|CS-0043177

Structure of 936092-87-4

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General Information

  • CAS No. 936092-87-4
  • Cat. No. CS-0043177
  • Purity ≥98%
  • MDL No. MFCD08272256
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈BrN
  • Molecular Weight 210.07
  • Synonym(s) 4-BROMO-7-METHYLINDOLE
  • SMILES CC1=CC=C(Br)C2=C1NC=C2

Description

4-Bromo-7-methyl-1H-indole features a sterically accessible indole core with complementary halogen and methyl substituents, enabling direct functionalization in cross-coupling and electrophilic substitution reactions. The bromine atom serves as a high-reactivity handle for palladium-catalyzed transformations, while the methyl group enhances electron density at the C7 position, improving stability and solubility under standard conditions.

Application

4-Bromo-7-methyl-1H-indole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions for C–C bond formation. Its bromine substituent provides high reactivity in Suzuki, Stille, and Negishi couplings, while the methyl group enhances solubility and modulates electronic properties. The indole core offers robust stability under standard synthetic conditions, facilitating efficient functionalization and purification.

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   15.79
  • LogP   3.23882
  • H_Acceptors   0
  • H_Donors   1
  • Rotatable_Bonds   0

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