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CS-W001157 4
Total: USD 88.00

2-Acetyl-4-nitro-1H-indene-1,3(2H)-dione

  • CAS No. 25125-04-6

  • Cat. No. CS-0450135
  • Molecule weight233.18
  • Purity≥98%
  • MDL No.None

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

2-Acetyl-4-nitro-1H-indene-1,3(2H)-dione|CS-0450135

Structure of 25125-04-6

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General Information

  • CAS No. 25125-04-6
  • Cat. No. CS-0450135
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇NO₅
  • Molecular Weight 233.18
  • Synonym(s) 2-Acetyl-4-nitroindan-1,3-dione
  • SMILES CC(=O)C1C(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C1=O

Synthesis

  • Route1
    • null|null
      110-89-4
    • null|null
      123-54-6
    • ~79%
    • 2-Acetyl-4-nitro-1H-indene-1,3(2H)-dione|CS-0450135
      25125-04-6

    References

    • Alchemia Pty Ltd Patent: US6462183 B1, 2002 ;
  • Route2

    References

    • E. I. Du Pont de Nemours and Company Patent: US4678499 A1, 1987 ;
  • Route3

    References

    • Yue, Eddy W.; Higley, C. Anne; DiMeo, Susan V.; Carini, David J.; Nugiel, David A.; Benware, Carrie; Benfield, Pamela A.; Burton, Catherine R.; Cox, Sarah; Grafstrom, Robert H.; Sharp, Diane M.; Sisk, Lisa M.; Boylan, John F.; Muckelbauer, Jodi K.; Smallwood, Angela M.; Chen, Haiying; Chang, Chong-Hwan; Seitz, Steven P.; Trainor, George L. Journal of Medicinal Chemistry, 2002 , vol. 45, # 24 p. 5233 - 5248

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   94.35
  • LogP   1.179
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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