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CS-W001157 4
Total: USD 88.00

2-Benzyl-5-nitroisoindoline

  • CAS No. 127168-68-7

  • Cat. No. CS-0444020
  • Purity≥98%
  • MDL No.None

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

2-Benzyl-5-nitroisoindoline|CS-0444020

Structure of 127168-68-7

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General Information

  • CAS No. 127168-68-7
  • Cat. No. CS-0444020
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄N₂O₂
  • Molecular Weight 254.28
  • Synonym(s) 1H-isoindole, 2,3-dihydro-5-nitro-2-(phenylmethyl)-
  • SMILES C1=CC=C(C=C1)CN2CC3=CC=C(C=C3C2)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      99-51-4
    • ~33%
    • 2-Benzyl-5-nitroisoindoline|CS-0444020
      127168-68-7

    References

    • Pinto, Donald J.P.; Quan, Mimi L.; Orwat, Michael J.; Li, Yun-Long; Han, Wei; Qiao, Jennifer X.; Lam, Patrick Y.S.; Koch, Stephanie L. Patent: US2003/191115 A1, 2003 ;

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   46.38
  • LogP   3.1106
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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