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CS-W001157 4
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4-Bromo-2-fluoro-3-methylaniline

  • CAS No. 1540204-53-2

  • Cat. No. CS-0134665
  • Purity≥98%
  • MDL No.MFCD26687842

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

4-Bromo-2-fluoro-3-methylaniline|CS-0134665

Structure of 1540204-53-2

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General Information

  • CAS No. 1540204-53-2
  • Cat. No. CS-0134665
  • Purity ≥98%
  • MDL No. MFCD26687842
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇BrFN
  • Molecular Weight 204.04
  • Synonym(s) 4-Bromo-2-fluoro-3-methyl-phenylamine
  • SMILES NC1=CC=C(C(C)=C1F)Br

Description

4-Bromo-2-fluoro-3-methylaniline features a trifunctional aromatic core with bromo, fluoro, and methyl groups positioned for orthogonal reactivity. This electron-deficient aniline derivative enables selective coupling in cross-coupling protocols and serves as a key intermediate in the synthesis of bioactive heterocycles and functional materials under standard conditions.

Application

4-Bromo-2-fluoro-3-methylaniline serves as a valuable building block in the synthesis of pharmaceutical intermediates and functionalized heterocycles. Its ortho-fluoro and meta-bromo substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling and electrophilic substitution, while the methyl group enhances metabolic stability in drug candidates. The compound exhibits good bench stability and is amenable to standard purification methods, facilitating integration into multi-step synthetic sequences.

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.47882
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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