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CS-W001157 4
Total: USD 88.00

2-(Carboxymethyl)-5-nitrobenzoic acid

  • CAS No. 3898-66-6

  • Cat. No. CS-0122524
  • Molecule weight225.15
  • Purity≥95%
  • MDL No.MFCD04035583

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

2-(Carboxymethyl)-5-nitrobenzoic acid|CS-0122524

Structure of 3898-66-6

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General Information

  • CAS No. 3898-66-6
  • Cat. No. CS-0122524
  • Purity ≥95%
  • MDL No. MFCD04035583
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇NO₆
  • Molecular Weight 225.15
  • Synonym(s) 2-carboxy-4-nitrobenzeneacetic acid
  • SMILES O=C(O)C1=CC([N+]([O-])=O)=CC=C1CC(O)=O

Synthesis

  • Route1

    References

    • KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN RandD; UNIVERSITE DE LILLE; CENTRE NATIONAL DE RECHERCHE SCIENTIFIQUE; ECOLE NATIONALE SUPERIEURE DE CHIMIE DE LILLE; BAILLY, Fabrice; BILLAMBOZ, Muriel; CHRIST, Frauke; COTELLE, Philippe; DEBYSER, Zeger; LION, Cedric; SUCHAUD, Virginie Patent: WO2012/85003 A1, 2012 ; Location in patent: Page/Page column 111-112 ; WO 2012/085003 A1
  • Route2

    References

    • Shanghai Tangrun Pharmaceuticals, Co. Ltd; ZHANG, Suo ming Patent: EP2740734 A1, 2014 ;
  • Route3

    References

    • Ingold; Piggott Journal of the Chemical Society, 1923 , vol. 123, p. 1482,1508

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   117.74
  • LogP   0.9201
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   4

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