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CS-W001157 4
Total: USD 88.00

3-Chloro-1-phenylisoquinoline-4-carbaldehyde

  • CAS No. 72118-68-4

  • Cat. No. CS-0580259
  • Molecule weight267.71
  • Purity≥98%
  • MDL No.None

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

3-Chloro-1-phenylisoquinoline-4-carbaldehyde|CS-0580259

Structure of 72118-68-4

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General Information

  • CAS No. 72118-68-4
  • Cat. No. CS-0580259
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₀ClNO
  • Molecular Weight 267.71
  • Synonym(s) 4-Isoquinolinecarboxaldehyde,3-chloro-1-phenyl
  • SMILES C1=CC=C(C=C1)C2=NC(=C(C3=CC=CC=C32)C=O)Cl

Synthesis

  • Route1
    • 3-Chloro-1-phenylisoquinoline-4-carbonitrile|CS-0670731
      72118-85-5
    • ~87%
    • 3-Chloro-1-phenylisoquinoline-4-carbaldehyde|CS-0580259
      72118-68-4

    References

    • Hoechst Aktiengesellschaft Patent: US4260763 A1, 1981 ;
  • Route2
    • null|null
      72179-14-7
    • ~0%
    • 3-Chloro-1-phenylisoquinoline-4-carbaldehyde|CS-0580259
      72118-68-4
    • null|null
      120285-00-9

    References

    • Renger, B.; Konz, E.; Rueger, W. Synthesis, 1988 , # 9 p. 683 - 685
  • Route3

    References

    • Jana, Gouranga P.; Ghorai, Binay K. Letters in Organic Chemistry, 2009 , vol. 6, # 5 p. 372 - 376

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

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Computational Chemistry Data

  • TPSA   29.96
  • LogP   4.3677
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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