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CS-W001157 4
Total: USD 88.00

4-(Phenylethynyl)benzoic acid

  • CAS No. 25739-23-5

  • Cat. No. CS-0149219
  • Purity≥98%
  • MDL No.MFCD00438677

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

4-(Phenylethynyl)benzoic acid|CS-0149219

Structure of 25739-23-5

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General Information

  • CAS No. 25739-23-5
  • Cat. No. CS-0149219
  • Purity ≥98%
  • MDL No. MFCD00438677
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₀O₂
  • Molecular Weight 222.24
  • Synonym(s) 4-PHENYLETHYNYL-BENZOIC ACID
  • SMILES O=C(O)C1=CC=C(C#CC2=CC=CC=C2)C=C1

Synthesis

  • Route1
    • In-stock
      4-Bromobenzoic acid|CS-W020100
      586-76-5
    • null|null
      536-74-3
    • ~90%
    • In-stock
      4-(Phenylethynyl)benzoic acid|CS-0149219
      25739-23-5

    References

    • DeVasher, Rebecca B.; Moore, Lucas R.; Shaughnessy, Kevin H. Journal of Organic Chemistry, 2004 , vol. 69, # 23 p. 7919 - 7927
  • Route2

    References

    • WO2008/154642 A2, ; Page/Page column 86-87 ; WO 2008/154642 A2
  • Route3

    References

    • Zhao, Dongbing; Gao, Chao; Su, Xiaoyu; He, Yunqing; You, Jingsong; Xue, Ying Chemical Communications, 2010 , vol. 46, # 47 p. 9049 - 9051

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   37.3
  • LogP   2.7846
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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