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CS-W001157 4
Total: USD 88.00

Isopropyl 3-nitrobenzoate

  • CAS No. 6268-23-1

  • Cat. No. CS-0525092
  • Molecule weight209.20
  • Purity≥98%
  • MDL No.None

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

Isopropyl 3-nitrobenzoate|CS-0525092

Structure of 6268-23-1

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General Information

  • CAS No. 6268-23-1
  • Cat. No. CS-0525092
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₄
  • Molecular Weight 209.20
  • Synonym(s) Propan-2-yl 3-nitrobenzoate
  • SMILES O=C(OC(C)C)C1=CC=CC([N+]([O-])=O)=C1

Synthesis

  • Route1
    • 3-Nitrobenzaldoxime|CS-0437847
      3431-62-7
    • null|null
      67-63-0
    • ~84%
    • Isopropyl 3-nitrobenzoate|CS-0525092
      6268-23-1

    References

    • Sheng, Shou-Ri; Huang, Xian Journal of Chemical Research - Part S, 2003 , # 8 p. 491 - 492
  • Route2
    • 3-Nitrobenzaldehyde Erlotinib Impurity|CS-0204123
      99-61-6
    • null|null
      67-63-0
    • ~48%
    • Isopropyl 3-nitrobenzoate|CS-0525092
      6268-23-1

    References

    • Raj, I. Victor Paul; Sudalai Tetrahedron Letters, 2005 , vol. 46, # 48 p. 8303 - 8306
  • Route3

    References

    • Wang, Zhiyuan; Kang, Junhui; Yu, Mingxin Journal of Chemical Research, 2007 , # 6 p. 323 - 324

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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   69.44
  • LogP   2.16
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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