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CS-W001157 4
Total: USD 88.00

Ethyl 4-cyano-3-nitrobenzoate

  • CAS No. 321162-58-7

  • Cat. No. CS-0450999
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-cyano-3-nitrobenzoate|CS-0450999

Structure of 321162-58-7

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General Information

  • CAS No. 321162-58-7
  • Cat. No. CS-0450999
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈N₂O₄
  • Molecular Weight 220.18
  • Synonym(s) BENZOIC ACID, 4-CYANO-3-NITRO-, ETHYL ESTER
  • SMILES CCOC(=O)C1=CC(=C(C=C1)C#N)[N+](=O)[O-]

Synthesis

  • Route1
    • Ethyl 4-iodo-3-nitrobenzoate|CS-0361568
      57362-77-3
    • null|null
      557-21-1
    • ~%
    • Ethyl 4-cyano-3-nitrobenzoate|CS-0450999
      321162-58-7

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2008/75070 A1, 2008 ; Location in patent: Page/Page column 147-148 ; WO 2008/075070 A1

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   93.23
  • LogP   1.64318
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   3

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