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CS-W001157 4
Total: USD 88.00

2-Bromo-4-nitro-benzoic acid methyl ester

  • CAS No. 100959-22-6

  • Cat. No. CS-D1683
  • Purity≥97%
  • MDL No.MFCD07779271

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

2-Bromo-4-nitro-benzoic acid methyl ester|CS-D1683

Structure of 100959-22-6

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General Information

  • CAS No. 100959-22-6
  • Cat. No. CS-D1683
  • Purity ≥97%
  • MDL No. MFCD07779271
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrNO₄
  • Molecular Weight 260.04
  • Synonym(s) Methyl 2-bromo-4-nitrobenzoate; 2-Bromo-4-nitrobenzoic Acid Methyl Ester
  • SMILES O=C(OC)C1=CC=C([N+]([O-])=O)C=C1Br

Synthesis

  • Route1
    • In-stock
      2-Bromo-4-nitrobenzoic acid|CS-W014121
      16426-64-5
    • null|null
      74-88-4
    • ~99%
    • In-stock
      2-Bromo-4-nitro-benzoic acid methyl ester|CS-D1683
      100959-22-6

    References

    • NEUROPORE THERAPIES, INC.; WRASIDLO, Wolfgang Patent: WO2013/148365 A1, 2013 ; Location in patent: Paragraph 00101 ;
  • Route2

    References

    • Jung, Kwan-Young; Vanommeslaeghe, Kenno; Lanning, Maryanna E.; Yap, Jeremy L.; Gordon, Caryn; Wilder, Paul T.; Mackerell, Alexander D.; Fletcher, Steven Organic Letters, 2013 , vol. 15, # 13 p. 3234 - 3237
  • Route3
    • null|null
      67-56-1
    • In-stock
      2-Bromo-4-nitrobenzoic acid|CS-W014121
      16426-64-5
    • ~89%
    • In-stock
      2-Bromo-4-nitro-benzoic acid methyl ester|CS-D1683
      100959-22-6

    References

    • Qian, Yimin; Marugan, Juan Jose; Fossum, Renae D.; Vogt, Andreas; Sebti, Said M.; Hamilton, Andrew D. Bioorganic and Medicinal Chemistry, 1999 , vol. 7, # 12 p. 3011 - 3024

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   2.1439
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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