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CS-W001157 4
Total: USD 88.00

3-Chloro-5-nitroisoquinoline

  • CAS No. 10296-47-6

  • Cat. No. CS-0101196
  • Molecule weight208.60
  • Purity≥98%
  • MDL No.MFCD09999239

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

3-Chloro-5-nitroisoquinoline|CS-0101196

Structure of 10296-47-6

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General Information

  • CAS No. 10296-47-6
  • Cat. No. CS-0101196
  • Purity ≥98%
  • MDL No. MFCD09999239
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅ClN₂O₂
  • Molecular Weight 208.60
  • Synonym(s) Isoquinoline,3-chloro-5-nitro
  • SMILES O=[N+](C1=CC=CC2=C1C=C(Cl)N=C2)[O-]

Synthesis

  • Route1

    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 87 ; WO 2010/045402 A1
  • Route2

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3651 - 3660
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 50, # 15 p. 3651 - 3660

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   56.03
  • LogP   2.7964
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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