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CS-W001157 4
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Methyl 5-chloro-2-fluorobenzoate

  • CAS No. 57381-36-9

  • Cat. No. CS-0189062
  • Purity≥98%
  • MDL No.None

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

Methyl 5-chloro-2-fluorobenzoate|CS-0189062

Structure of 57381-36-9

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General Information

  • CAS No. 57381-36-9
  • Cat. No. CS-0189062
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClFO₂
  • Molecular Weight 188.58
  • Synonym(s) 3-chloro-6-cyano-benzoic acid methyl ester
  • SMILES COC(=O)C1=C(C=CC(=C1)Cl)F

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      5-Chloro-2-fluorobenzoyl chloride|CS-0006666
      394-29-6
    • ~98%
    • In-stock
      Methyl 5-chloro-2-fluorobenzoate|CS-0189062
      57381-36-9

    References

    • ASTRAZENECA AB; NPS PHARMACEUTICALS, INC. Patent: WO2004/14370 A2, 2004 ; Location in patent: Page/Page column 61 ; WO 2004/014370 A2
  • Route2
    • null|null
      79-37-8
    • In-stock
      5-Chloro-2-fluorobenzoic acid|CS-W002658
      394-30-9
    • ~89%
    • In-stock
      Methyl 5-chloro-2-fluorobenzoate|CS-0189062
      57381-36-9

    References

    • Cell Therapeutics, Inc. Patent: US2003/153570 A1, 2003 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.2657
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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