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CS-W001157 4
Total: USD 88.00

4-((4-Ethynylphenyl)ethynyl)benzoic acid

  • CAS No. 866825-55-0

  • Cat. No. CS-0574075
  • Molecule weight246.26
  • Purity≥98%
  • MDL No.None

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

4-((4-Ethynylphenyl)ethynyl)benzoic acid|CS-0574075

Structure of 866825-55-0

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General Information

  • CAS No. 866825-55-0
  • Cat. No. CS-0574075
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₀O₂
  • Molecular Weight 246.26
  • Synonym(s) 4-[2-(4-ethynylphenyl)ethynyl]Benzoic acid
  • SMILES C#CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)O

Synthesis

  • Route1
    • null|null
      866825-52-7
    • ~%
    • 4-((4-Ethynylphenyl)ethynyl)benzoic acid|CS-0574075
      866825-55-0

    References

    • Polyansky, Dmitry E.; Danilov, Evgeny O.; Voskresensky, Sergey V.; Rodgers, Michael A. J.; Neckers, Douglas C. Journal of the American Chemical Society, 2005 , vol. 127, # 39 p. 13452 - 13453
  • Route2

    References

    • Polyansky, Dmitry E.; Danilov, Evgeny O.; Voskresensky, Sergey V.; Rodgers, Michael A. J.; Neckers, Douglas C. Journal of the American Chemical Society, 2005 , vol. 127, # 39 p. 13452 - 13453
  • Route3

    References

    • Polyansky, Dmitry E.; Danilov, Evgeny O.; Voskresensky, Sergey V.; Rodgers, Michael A. J.; Neckers, Douglas C. Journal of the American Chemical Society, 2005 , vol. 127, # 39 p. 13452 - 13453

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7659
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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