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CS-W001157 4
Total: USD 88.00

2-(3-Nitropropyl)isoindoline-1,3-dione

  • CAS No. 77611-68-8

  • Cat. No. CS-0467786
  • Molecule weight234.21
  • Purity≥98%
  • MDL No.None

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

2-(3-Nitropropyl)isoindoline-1,3-dione|CS-0467786

Structure of 77611-68-8

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General Information

  • CAS No. 77611-68-8
  • Cat. No. CS-0467786
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O₄
  • Molecular Weight 234.21
  • Synonym(s) 1H-Isoindole-1,3(2H)-dione, 2-(3-nitropropyl)-
  • SMILES O=C(C1=C2C=CC=C1)N(CCC[N+]([O-])=O)C2=O

Synthesis

  • Route1
    • 2-(3-azidopropyl)-isoindole-1, 3-dione|CS-0693909
      88192-21-6
    • ~80%
    • 2-(3-Nitropropyl)isoindoline-1,3-dione|CS-0467786
      77611-68-8

    References

    • Carmeli, Mira; Rozen, Shlomo Journal of Organic Chemistry, 2006 , vol. 71, # 12 p. 4585 - 4589
  • Route2

    References

    • Hughes, Robert; Prager, Rolf H. Australian Journal of Chemistry, 1997 , vol. 50, # 1 p. 19 - 26
  • Route3

    References

    • v. Braun; Pinkernelle Chemische Berichte, 1934 , vol. 67, p. 1056,1220

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   80.52
  • LogP   0.9494
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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