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CS-W001157 4
Total: USD 88.00

5-Bromo-2-methylaniline

  • CAS No. 39478-78-9

  • Cat. No. CS-W002694
  • Molecule weight186.05
  • Purity≥97%
  • MDL No.MFCD00800678

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

5-Bromo-2-methylaniline|CS-W002694

Structure of 39478-78-9

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General Information

  • CAS No. 39478-78-9
  • Cat. No. CS-W002694
  • Purity ≥97%
  • MDL No. MFCD00800678
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈BrN
  • Molecular Weight 186.05
  • Synonym(s) 5-Bromo-o-toluidine; 5-Bromo-2-methylaniline
  • SMILES CC1=C(N)C=C(Br)C=C1

Description

5-Bromo-2-methylaniline features a bromine substituent at the 5-position and a methyl group at the 2-position relative to the amino functionality, creating a sterically hindered, electron-rich aromatic system. This configuration enhances stability under standard bench conditions while enabling selective coupling reactions in pharmaceutical synthesis and dye development.

Application

5-Bromo-2-methylaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the aniline nitrogen and ortho-position. Its bromine substituent facilitates palladium-catalyzed cross-coupling reactions, while the methyl group enhances metabolic stability and modulates electronic properties. The compound exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for scalable synthesis workflows.

Safety Information

Download SDS
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   26.02
  • LogP   2.33972
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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