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CS-W001157 4
Total: USD 88.00

4-Bromo-2-(methylthio)aniline

  • CAS No. 475089-07-7

  • Cat. No. CS-W020204
  • Purity≥96%
  • MDL No.None

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

4-Bromo-2-(methylthio)aniline|CS-W020204

Structure of 475089-07-7

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General Information

  • CAS No. 475089-07-7
  • Cat. No. CS-W020204
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈BrNS
  • Molecular Weight 218.11
  • Synonym(s) None
  • SMILES NC1=CC=C(Br)C=C1SC

Description

4-Bromo-2-(methylthio)aniline features a bromine atom at the para position relative to the aniline nitrogen and a methylthio group in the ortho position, creating a sterically accessible site for coupling reactions. This electron-rich aromatic scaffold enables efficient transition metal-catalyzed transformations, delivering complex heterocycles with high regiocontrol under standard conditions.

Application

4-Bromo-2-(methylthio)aniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient late-stage functionalization via Pd-catalyzed cross-coupling reactions. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the methylthio substituent offers orthogonal reactivity and stability under standard conditions. This compound demonstrates excellent bench stability and compatibility with diverse reaction environments, making it ideal for constructing complex heterocyclic scaffolds and API intermediates.

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   26.02
  • LogP   2.7532
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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