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CS-W001157 4
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1-(2-Chlorophenyl)isoquinoline-3-carboxylic acid

  • CAS No. 89242-09-1

  • Cat. No. CS-0103919
  • Purity≥98%
  • MDL No.MFCD17169230

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

1-(2-Chlorophenyl)isoquinoline-3-carboxylic acid|CS-0103919

Structure of 89242-09-1

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General Information

  • CAS No. 89242-09-1
  • Cat. No. CS-0103919
  • Purity ≥98%
  • MDL No. MFCD17169230
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₀ClNO₂
  • Molecular Weight 283.71
  • Synonym(s) 1-(2-Chlorophenyl)-3-isoquinolinecarboxylic acid
  • SMILES O=C(C1=CC2=C(C(C3=CC=CC=C3Cl)=N1)C=CC=C2)O

Synthesis

  • Route1
    • null|null
      849770-52-1
    • ~35%
    • In-stock
      1-(2-Chlorophenyl)isoquinoline-3-carboxylic acid|CS-0103919
      89242-09-1

    References

    • TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. Patent: WO2008/23357 A1, 2008 ; Location in patent: Page/Page column 70; Sheet 19/26 ; WO 2008/023357 A1
  • Route2
    • null|null
      40547-06-6
    • ~34%
    • In-stock
      1-(2-Chlorophenyl)isoquinoline-3-carboxylic acid|CS-0103919
      89242-09-1

    References

    • Gavish, Moshe; Veenman, Jehuda Arieh; Shterenberg, Alex; Marek, Ilan Patent: US2010/29658 A1, 2010 ; Location in patent: Page/Page column 33 ;
  • Route3

    References

    • The Rockefeller University; STELLER, Hermann; SANDU, Cristinel; KELKAR, Anshuman; GANGADHAR, Nidhi Patent: US2013/244325 A1, 2013 ; Location in patent: Paragraph 0064 ;

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.19
  • LogP   4.2534
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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