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CS-W001157 4
Total: USD 88.00

3-(Methoxycarbonyl)-2-nitrobenzoic acid

  • CAS No. 861593-27-3

  • Cat. No. CS-0040704
  • Purity≥97%
  • MDL No.MFCD08690069

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

3-(Methoxycarbonyl)-2-nitrobenzoic acid|CS-0040704

Structure of 861593-27-3

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General Information

  • CAS No. 861593-27-3
  • Cat. No. CS-0040704
  • Purity ≥97%
  • MDL No. MFCD08690069
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₆
  • Molecular Weight 225.15
  • Synonym(s) 2-Nitroisopthalicacid monomethyl ester
  • SMILES O=C(C1=CC=CC(C(O)=O)=C1[N+]([O-])=O)OC

Synthesis

  • Route1

    References

    • Chemische Berichte, , vol. 43, p. 3474
  • Route2

    References

    • Chemische Berichte, , vol. 43, p. 3474

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

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