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CS-W001157 4
Total: USD 88.00

2-(Methoxycarbonyl)-6-nitrobenzoic acid

  • CAS No. 21606-04-2

  • Cat. No. CS-W013046
  • Purity≥98%
  • MDL No.MFCD00034781

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

2-(Methoxycarbonyl)-6-nitrobenzoic acid|CS-W013046

Structure of 21606-04-2

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General Information

  • CAS No. 21606-04-2
  • Cat. No. CS-W013046
  • Purity ≥98%
  • MDL No. MFCD00034781
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₆
  • Molecular Weight 225.15
  • Synonym(s) methyl 3-nitro-2-carboxyl benzoate
  • SMILES COC(C1=C(C(O)=O)C([N+]([O-])=O)=CC=C1)=O

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      3-Nitrophthalic acid|CS-0008519
      603-11-2
    • ~98%
    • In-stock
      2-(Methoxycarbonyl)-6-nitrobenzoic acid|CS-W013046
      21606-04-2

    References

    • DR. REDDY'S LABORATORIES LTD.; DR. REDDY'S LABORATORIES, INC. Patent: WO2006/15134 A1, 2006 ; Location in patent: Page/Page column 13 ;
  • Route2
    • In-stock
      3-Nitrophthalic acid|CS-0008519
      603-11-2
    • null|null
      149-73-5
    • ~93%
    • In-stock
      2-(Methoxycarbonyl)-6-nitrobenzoic acid|CS-W013046
      21606-04-2

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1420016 A1, 2004 ; Location in patent: Page 17 ;
  • Route3

    References

    • Chemische Berichte, , vol. 35, p. 3877,3879

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
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   106.74
  • LogP   1.0796
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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