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CS-W001157 4
Total: USD 88.00

3-(Phenylethynyl)benzoic acid

  • CAS No. 93866-50-3

  • Cat. No. CS-0319015
  • Purity95+%
  • MDL No.MFCD06740205

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

3-(Phenylethynyl)benzoic acid|CS-0319015

Structure of 93866-50-3

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General Information

  • CAS No. 93866-50-3
  • Cat. No. CS-0319015
  • Purity 95+%
  • MDL No. MFCD06740205
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₀O₂
  • Molecular Weight 222.24
  • Synonym(s) 3-Phenylethynyl-benzoic acid
  • SMILES C1=CC=C(C=C1)C#CC2=CC(=CC=C2)C(=O)O

Synthesis

  • Route1

    References

    • THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH Patent: US2008/153802 A1, 2008 ; Location in patent: Page/Page column 105 ;
  • Route2
    • null|null
      179244-72-5
    • ~%
    • 3-(Phenylethynyl)benzoic acid|CS-0319015
      93866-50-3

    References

    • PHARMACIA and UPJOHN COMPANY Patent: WO2004/18414 A2, 2004 ; Location in patent: Page 99-100 ;
  • Route3
    • null|null
      135008-92-3
    • ~%
    • 3-(Phenylethynyl)benzoic acid|CS-0319015
      93866-50-3

    References

    • Kochi; Hammond Journal of the American Chemical Society, 1953 , vol. 75, p. 3452,3453

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS08
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H290-H314-H370-H372-H412
Precautionary Statements : P234-P260-P264-P270-P273-P280-P301+P330+P331-P304+P340-P363-P390-P405-P406-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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