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CS-W001157 4
Total: USD 88.00

N-Isopropyl-4-nitrobenzamide

  • CAS No. 38681-76-4

  • Cat. No. CS-0210336
  • Purity≥97%
  • MDL No.MFCD00779671

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

N-Isopropyl-4-nitrobenzamide|CS-0210336

Structure of 38681-76-4

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General Information

  • CAS No. 38681-76-4
  • Cat. No. CS-0210336
  • Purity ≥97%
  • MDL No. MFCD00779671
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂N₂O₃
  • Molecular Weight 208.21
  • Synonym(s) 4-nitro-N-(propan-2-yl)benzamide
  • SMILES CC(C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Synthesis

  • Route1
    • null|null
      122-04-3
    • null|null
      75-31-0
    • ~68%
    • N-Isopropyl-4-nitrobenzamide|CS-0210336
      38681-76-4

    References

    • Hegarty, Anthony F.; Eustace, Stephen J.; Tynan, Nuala M.; Pham-Tran, Nguyen-Nguyen; Nguyen, Minh Tho Journal of the Chemical Society. Perkin Transactions 2, 2001 , # 7 p. 1239 - 1246
  • Route2

    References

    • Xia, Zhonghua; Zhu, Qiang Organic Letters, 2013 , vol. 15, # 16 p. 4110 - 4113
  • Route3

    References

    • Alizadeh, Abdolali; Rezvanian, Atieh Synlett, 2012 , vol. 23, # 6 art. no. ST-2011-D0298-L, p. 859 - 862

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   72.24
  • LogP   1.733
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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