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CS-W001157 4
Total: USD 88.00

1-(Isoquinolin-8-yl)ethanone

  • CAS No. 1053655-98-3

  • Cat. No. CS-0187892
  • Purity≥98%
  • MDL No.MFCD10699238

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

1-(Isoquinolin-8-yl)ethanone|CS-0187892

Structure of 1053655-98-3

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General Information

  • CAS No. 1053655-98-3
  • Cat. No. CS-0187892
  • Purity ≥98%
  • MDL No. MFCD10699238
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO
  • Molecular Weight None
  • Synonym(s) 1-(isoquinolin-8-yl)ethan-1-one
  • SMILES CC(=O)C1=CC=CC2=CC=NC=C21

Synthesis

  • Route1
    • null|null
      1432514-69-6
    • null|null
      75-16-1
    • ~%
    • In-stock
      1-(Isoquinolin-8-yl)ethanone|CS-0187892
      1053655-98-3

    References

    • MERCK SHARP and DOHME CORP.; LAYTON, Mark, E.; PERO, Joseph, E.; FIJI, Hannah; KELLY, Michael, J., III; DE LEON, Pablo; ROSSI, Michael, A.; GILBERT, Kevin, F.; ROECKER, Anthony, J.; ZHAO, Zhijian; MERCER, Swati Pal; WOLKENBERG, Scott; MULHEARN, James; ZHAO, Lianyun; LI, Dansu Patent: WO2013/63459 A1, 2013 ; Location in patent: Paragraph 0181 ; WO 2013/063459 A1
  • Route2

    References

    • MERCK SHARP and DOHME CORP.; LAYTON, Mark, E.; PERO, Joseph, E.; FIJI, Hannah; KELLY, Michael, J., III; DE LEON, Pablo; ROSSI, Michael, A.; GILBERT, Kevin, F.; ROECKER, Anthony, J.; ZHAO, Zhijian; MERCER, Swati Pal; WOLKENBERG, Scott; MULHEARN, James; ZHAO, Lianyun; LI, Dansu Patent: WO2013/63459 A1, 2013 ; WO 2013/063459 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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   2.4374
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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