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CS-W001157 4
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4,4',4''-(Benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid

  • CAS No. 205383-17-1

  • Cat. No. CS-0110048
  • Purity≥95%
  • MDL No.MFCD17926334

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

4,4',4''-(Benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid|CS-0110048

Structure of 205383-17-1

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General Information

  • CAS No. 205383-17-1
  • Cat. No. CS-0110048
  • Purity ≥95%
  • MDL No. MFCD17926334
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃₃H₁₈O₆
  • Molecular Weight 510.50
  • Synonym(s) 4-[2-[3,5-Bis[2-(4-carboxyphenyl)ethynyl]phenyl]ethynyl]benzoic acid
  • SMILES O=C(O)C1=CC=C(C#CC=2C=C(C#CC3=CC=C(C=C3)C(=O)O)C=C(C#CC4=CC=C(C=C4)C(=O)O)C2)C=C1

Synthesis

  • Route1
    • null|null
      1254970-48-3
    • ~94%
    • In-stock
      4,4',4''-(Benzene-1,3,5-triyltris(ethyne-2,1-diyl))tribenzoic acid|CS-0110048
      205383-17-1

    References

    • THE REGENTS OF THE UNIVERSITY OF CALIFORNIA; FOUNDATION OF SOONGSIL UNIVERSITY-INDUSTRY COOPERATION; YAGHI, Omar, M.; FURUKAWA, Hiroyasu; KIM, Jaheon; KO, Nakeun; CHOI, Sang, Beom Patent: WO2011/38208 A2, 2011 ; Location in patent: Page/Page column 33 ;

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   111.9
  • LogP   4.9806
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   3

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