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CS-W001157 4
Total: USD 88.00

3-Fluoro-5-methylaniline

  • CAS No. 52215-41-5

  • Cat. No. CS-W002331
  • Molecule weight125.14
  • Purity≥98%
  • MDL No.MFCD00077538

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

3-Fluoro-5-methylaniline|CS-W002331

Structure of 52215-41-5

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General Information

  • CAS No. 52215-41-5
  • Cat. No. CS-W002331
  • Purity ≥98%
  • MDL No. MFCD00077538
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈FN
  • Molecular Weight 125.14
  • Synonym(s) Benzene, 4-fluoro-1-isothiocyanato-2-methyl-
  • SMILES Cc1cc(N)cc(c1)F

Application

3-Fluoro-5-methylaniline serves as a valuable building block in medicinal chemistry, enabling the construction of fluorinated aromatic scaffolds via standard coupling reactions. Its ortho-fluoro and meta-methyl substituents provide enhanced metabolic stability and modulate electronic properties for target engagement. The compound exhibits good bench stability, facilitates straightforward purification, and demonstrates broad compatibility with Pd-catalyzed cross-coupling protocols.

Synthesis

  • Route1

    References

    • Bochis; Chabala; Harris; Peterson; Barash; Beattie; Brown; Graham; Waksmunski; Tischler; Joshua; Smith; Colwell; Wyvratt Jr.; Fisher; Tamas; Nicolich; Schleim; Wilks et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2843 - 2852
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    References

    • Bochis; Chabala; Harris; Peterson; Barash; Beattie; Brown; Graham; Waksmunski; Tischler; Joshua; Smith; Colwell; Wyvratt Jr.; Fisher; Tamas; Nicolich; Schleim; Wilks et al. Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2843 - 2852
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      3-Fluoro-5-methylaniline|CS-W002331
      52215-41-5

    References

    • Emokpae, Thomas A.; Eguavoen, Osa; Hirst, Jack Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1980 , p. 829 - 831

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   1.71632
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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