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CS-W001157 4
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2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione

  • CAS No. 948996-03-0

  • Cat. No. CS-0040315
  • Molecule weight273.67
  • Purity≥97%
  • MDL No.MFCD14706915

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

2-((6-Chloropyridazin-3-yl)methyl)isoindoline-1,3-dione|CS-0040315

Structure of 948996-03-0

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General Information

  • CAS No. 948996-03-0
  • Cat. No. CS-0040315
  • Purity ≥97%
  • MDL No. MFCD14706915
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₈ClN₃O₂
  • Molecular Weight 273.67
  • Synonym(s) 2-[(6-chloropyridazin-3-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
  • SMILES O=C1N(CC2=NN=C(Cl)C=C2)C(C3=C1C=CC=C3)=O

Synthesis

  • Route1

    References

    • Liu, Yu-Xiu; Wei, Deng-Guo; Zhu, Ye-Rong; Liu, Shao-Hua; Zhang, Yong-Lin; Zhao, Qi-Qi; Cai, Bao-Li; Li, Yong-Hong; Song, Hai-Bin; Liu, Ying; Wang, Yong; Huang, Run-Qiu; Wang, Qing-Min Journal of Agricultural and Food Chemistry, 2008 , vol. 56, # 1 p. 204 - 212
  • Route2

    References

    • Liu, Yu-Xiu; Wei, Deng-Guo; Zhu, Ye-Rong; Liu, Shao-Hua; Zhang, Yong-Lin; Zhao, Qi-Qi; Cai, Bao-Li; Li, Yong-Hong; Song, Hai-Bin; Liu, Ying; Wang, Yong; Huang, Run-Qiu; Wang, Qing-Min Journal of Agricultural and Food Chemistry, 2008 , vol. 56, # 1 p. 204 - 212

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   63.16
  • LogP   1.9262
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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