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CS-W001157 4
Total: USD 88.00

3,4'-Difluoro-[1,1'-biphenyl]-4-carboxylic acid

  • CAS No. 786685-86-7

  • Cat. No. CS-0060238
  • Molecule weight234.20
  • Purity≥98%
  • MDL No.None

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

3,4'-Difluoro-[1,1'-biphenyl]-4-carboxylic acid|CS-0060238

Structure of 786685-86-7

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General Information

  • CAS No. 786685-86-7
  • Cat. No. CS-0060238
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈F₂O₂
  • Molecular Weight 234.20
  • Synonym(s) 4-(4-Fluorophenyl)-2-fluorobenzoic acid
  • SMILES C1=C(C=CC(=C1)F)C2=CC(=C(C=C2)C(=O)O)F

Synthesis

  • Route1

    References

    • Choi, Jun Yong; Calvet, Claudia M.; Gunatilleke, Shamila S.; Ruiz, Claudia; Cameron, Michael D.; McKerrow, James H.; Podust, Larissa M.; Roush, William R. Journal of Medicinal Chemistry, 2013 , vol. 56, # 19 p. 7651 - 7668

Safety Information

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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 : P233-P260-P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P340-P362-P403-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.33
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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