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CS-W001157 4
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3-Fluoro-N-methylaniline

  • CAS No. 1978-37-6

  • Cat. No. CS-0042240
  • Purity≥98%
  • MDL No.MFCD02683095

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

3-Fluoro-N-methylaniline|CS-0042240

Structure of 1978-37-6

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General Information

  • CAS No. 1978-37-6
  • Cat. No. CS-0042240
  • Purity ≥98%
  • MDL No. MFCD02683095
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈FN
  • Molecular Weight 125.14
  • Synonym(s) None
  • SMILES CNC1=CC=CC(F)=C1

Description

3-Fluoro-N-methylaniline features a fluorinated aromatic ring paired with a tertiary amine group, offering enhanced electron density and improved solubility in organic media. This bench-stable compound serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals, where its ortho-directing fluoro substituent enables regioselective functionalization.

Application

3-Fluoro-N-methylaniline serves as a versatile building block in medicinal chemistry, enabling the construction of fluorinated aromatic scaffolds through standard coupling reactions. Its ortho-fluorine substituent supports directed metalation and facilitates regioselective functionalization. The N-methyl group enhances metabolic stability and modulates basicity, improving membrane permeability—features advantageous in drug discovery workflows. This compound exhibits bench stability, ease of handling, and compatibility with common purification techniques.

Synthesis

  • Route1
    • null|null
      1428-10-0
    • ~%
    • In-stock
      3-Fluoro-N-methylaniline|CS-0042240
      1978-37-6

    References

    • European Journal of Medicinal Chemistry, , vol. 34, # 2 p. 137 - 151
  • Route2
    • null|null
      372-19-0
    • ~%
    • In-stock
      3-Fluoro-N-methylaniline|CS-0042240
      1978-37-6

    References

    • European Journal of Medicinal Chemistry, , vol. 34, # 2 p. 137 - 151

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05,GHS06
Signal Word : Danger
UN#: 1992
Class : 3 (6.1)
Packing Group : Ⅲ
Hazard Statements : H226-H301-H318-H412
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P273-P280-P330-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   1.8674
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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