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CS-W001157 4
Total: USD 88.00

Methyl 2-chloro-3-nitrobenzoate

  • CAS No. 53553-14-3

  • Cat. No. CS-0042098
  • Purity≥97%
  • MDL No.MFCD00482383

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

Methyl 2-chloro-3-nitrobenzoate|CS-0042098

Structure of 53553-14-3

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General Information

  • CAS No. 53553-14-3
  • Cat. No. CS-0042098
  • Purity ≥97%
  • MDL No. MFCD00482383
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆ClNO₄
  • Molecular Weight 215.59
  • Synonym(s) 2-Chlor-3-methoxybenzoesaeuremethylester
  • SMILES O=C(OC)C1=CC=CC([N+]([O-])=O)=C1Cl

Synthesis

  • Route1
    • null|null
      67-56-1
    • 2-Chloro-3-carboxynitrobenzene Mesalazine  Impurity|CS-0229164
      3970-35-2
    • ~98%
    • In-stock
      Methyl 2-chloro-3-nitrobenzoate|CS-0042098
      53553-14-3

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2008/51533 A2, 2008 ; Location in patent: Page/Page column 95 ; WO 2008/051533 A2
  • Route2
    • 2-Chloro-3-carboxynitrobenzene Mesalazine  Impurity|CS-0229164
      3970-35-2
    • ~98%
    • In-stock
      Methyl 2-chloro-3-nitrobenzoate|CS-0042098
      53553-14-3

    References

    • Chugai Seiyaku Kabushiki Kaisha; Sakai, Toshiyuki Patent: EP2172198 A1, 2010 ;
  • Route3
    • 2-Chloro-3-carboxynitrobenzene Mesalazine  Impurity|CS-0229164
      3970-35-2
    • null|null
      18107-18-1
    • ~%
    • In-stock
      Methyl 2-chloro-3-nitrobenzoate|CS-0042098
      53553-14-3

    References

    • Sugen. Inc. Patent: US2003/100555 A1, 2003 ; US 20030100555 A1

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   2.0348
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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