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CS-W001157 4
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6-Fluoro-3-methylisoquinoline

  • CAS No. 1221445-02-8

  • Cat. No. CS-0212396
  • Purity≥98%
  • MDL No.MFCD22571325

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

6-Fluoro-3-methylisoquinoline|CS-0212396

Structure of 1221445-02-8

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General Information

  • CAS No. 1221445-02-8
  • Cat. No. CS-0212396
  • Purity ≥98%
  • MDL No. MFCD22571325
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈FN
  • Molecular Weight 161.18
  • Synonym(s) methyl 6-fluoroindole-3-carboxylate
  • SMILES CC1=CC2=C(C=N1)C=CC(F)=C2

Synthesis

  • Route1

    References

    • ABBOTT LABORATORIES Patent: US2012/245163 A1, 2012 ; Location in patent: Page/Page column 35 ; US 20120245163 A1
  • Route2
    • null|null
      1221445-01-7
    • ~%
    • 6-Fluoro-3-methylisoquinoline|CS-0212396
      1221445-02-8

    References

    • ABBOTT LABORATORIES; GOMTSYAN, Arthur R.; VOIGHT, Eric A.; BAYBURT, Erol K.; CHEN, Jun; DAANEN, Jerome F.; DIDOMENICO, Stanley, Jr.; KORT, Michael E.; KYM, Philip R.; MCDONALD, Heath A.; PERNER, Richard J.; SCHMIDT, Robert G. Patent: WO2010/45402 A1, 2010 ; Location in patent: Page/Page column 120 ; WO 2010/045402 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   12.89
  • LogP   2.68232
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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