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CS-W001157 4
Total: USD 88.00

4-Hydroxyisophthalic acid Aspirin Impurity

  • CAS No. 636-46-4

  • Cat. No. CS-0228745
  • Purity≥98%
  • MDL No.MFCD00010391

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

4-Hydroxyisophthalic acid Aspirin  Impurity|CS-0228745

Structure of 636-46-4

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General Information

  • CAS No. 636-46-4
  • Cat. No. CS-0228745
  • Purity ≥98%
  • MDL No. MFCD00010391
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆O₅
  • Molecular Weight 182.13
  • Synonym(s) None
  • SMILES O=C(O)C1=CC(C(O)=O)=CC=C1O

Synthesis

  • Route1

    References

    • LegoChem Biosciences, Inc.; CHO, Young Lag; YUN, Joung Yul; PARK, Chul Soon; CHAE, Sang Eun; LEE, Hyang Sook; OH, Kyuman; HEO, Hye Jin; KANG, Dae Hyuck; YANG, Young Jae; KWON, Hyun Jin; PARK, Tae Kyo; WOO, Sung Ho; KIM, Yong Zu Patent: EP2706062 A2, 2014 ; Location in patent: Paragraph 0141 ;
  • Route2
    • null|null
      63296-13-9
    • ~95%
    • 4-Hydroxyisophthalic acid Aspirin  Impurity|CS-0228745
      636-46-4

    References

    • Sala, Roberto; Doria, Gianfederico; Passarotti, Carlo Tetrahedron Letters, 1984 , vol. 25, # 40 p. 4565 - 4568
  • Route3

    References

    • US3933807 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   94.83
  • LogP   0.7886
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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