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CS-W001157 4
Total: USD 88.00

4-Cyano-2,6-difluorobenzoic acid

  • CAS No. 181073-82-5

  • Cat. No. CS-W022169
  • Purity≥98%
  • MDL No.MFCD09835199

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

4-Cyano-2,6-difluorobenzoic acid|CS-W022169

Structure of 181073-82-5

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General Information

  • CAS No. 181073-82-5
  • Cat. No. CS-W022169
  • Purity ≥98%
  • MDL No. MFCD09835199
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃F₂NO₂
  • Molecular Weight 183.11
  • Synonym(s) QVR BF FF DCN
  • SMILES O=C(O)C1=C(F)C=C(C#N)C=C1F

Synthesis

  • Route1

    References

    • WO2012/160464 A1, ; Page/Page column 69 ; WO 2012/160464 A1
  • Route2
    • null|null
      124-38-9
    • In-stock
      3,5-Difluorobenzonitrile|CS-W001071
      64248-63-1
    • ~65%
    • In-stock
      4-Cyano-2,6-difluorobenzoic acid|CS-W022169
      181073-82-5

    References

    • WO2011/100401 A1, ; Page/Page column 154 ;
  • Route3

    References

    • WO2012/160464 A1, ; WO 2012/160464 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   61.09
  • LogP   1.53468
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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