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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-(4-methylpiperazin-1-yl)benzoic acid

  • CAS No. 250683-76-2

  • Cat. No. CS-0113109
  • Purity≥98%
  • MDL No.MFCD11156515

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

3-Fluoro-4-(4-methylpiperazin-1-yl)benzoic acid|CS-0113109

Structure of 250683-76-2

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General Information

  • CAS No. 250683-76-2
  • Cat. No. CS-0113109
  • Purity ≥98%
  • MDL No. MFCD11156515
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅FN₂O₂
  • Molecular Weight 238.26
  • Synonym(s) 3-Fluoro-4-(4-methyl-1-piperazinyl)benzoic Acid
  • SMILES O=C(O)C1=CC=C(N2CCN(C)CC2)C(F)=C1

Synthesis

  • Route1
    • Methyl 3-fluoro-4-(4-methylpiperazin-1-yl)benzoate|CS-0462572
      948018-58-4
    • ~43%
    • 3-Fluoro-4-(4-methylpiperazin-1-yl)benzoic acid|CS-0113109
      250683-76-2

    References

    • EXELIXIS, INC. Patent: WO2009/55077 A1, 2009 ; Location in patent: Page/Page column 370 ;

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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.78
  • LogP   1.2757
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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