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CS-W001157 4
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Methyl 4-(3-nitrophenyl)benzoate

  • CAS No. 89900-93-6

  • Cat. No. CS-0207033
  • Molecule weight257.24
  • Purity≥95%
  • MDL No.MFCD01846431

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

Methyl 4-(3-nitrophenyl)benzoate|CS-0207033

Structure of 89900-93-6

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General Information

  • CAS No. 89900-93-6
  • Cat. No. CS-0207033
  • Purity ≥95%
  • MDL No. MFCD01846431
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁NO₄
  • Molecular Weight 257.24
  • Synonym(s) Methyl 3'-nitro[1,1'-biphenyl]-4-carboxylate
  • SMILES COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)[N+](=O)[O-]

Synthesis

  • Route1

    References

    • Snelders, Dennis J. M.; Kreiter, Robert; Firet, Judith J.; Van Koten, Gerard; Gebbink, Robertus J. M. Klein Advanced Synthesis and Catalysis, 2008 , vol. 350, # 2 p. 262 - 266
  • Route2

    References

    • US6251925 B1, ;
  • Route3
    • null|null
      67-56-1
    • 4-(3-Nitrophenyl)benzoic acid|CS-0207017
      5737-85-9
    • ~%
    • Methyl 4-(3-nitrophenyl)benzoate|CS-0207033
      89900-93-6

    References

    • Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , # 1 p. 35 - 38

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

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Computational Chemistry Data

  • TPSA   69.44
  • LogP   3.0484
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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