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CS-W001157 4
Total: USD 88.00

Ethyl 4-nitrobenzoate

  • CAS No. 99-77-4

  • Cat. No. CS-0016919
  • Purity≥98%
  • MDL No.MFCD00007351

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

Ethyl 4-nitrobenzoate|CS-0016919

Structure of 99-77-4

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General Information

  • CAS No. 99-77-4
  • Cat. No. CS-0016919
  • Purity ≥98%
  • MDL No. MFCD00007351
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₄
  • Molecular Weight 195.17
  • Synonym(s) Ethyl 4-nitrobenzoate
  • SMILES O=C(OCC)C1=CC=C([N+]([O-])=O)C=C1

Description

2-Methoxythiophenol is a sulfur-containing compound that can be used as a flavoring agent.

Synthesis

  • Route1

    References

    • Synthesis, , # 2 art. no. F16609SS, p. 276 - 282
  • Route2

    References

    • Organic Letters, , vol. 10, # 12 p. 2453 - 2456
  • Route3
    • In-stock
      2-Ethoxy-2-oxoacetic acid, potassium salt|CS-0046170
      1906-57-6
    • null|null
      586-78-7
    • ~84%
    • In-stock
      Ethyl 4-nitrobenzoate|CS-0016919
      99-77-4

    References

    • Journal of the American Chemical Society, , vol. 131, p. 5738 - 5739

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   1.7715
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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