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CS-W001157 4
Total: USD 88.00

2-((Carboxymethyl)amino)-4-chlorobenzoic acid

  • CAS No. 99282-79-8

  • Cat. No. CS-0462940
  • Molecule weight229.62
  • Purity≥98%
  • MDL No.None

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

2-((Carboxymethyl)amino)-4-chlorobenzoic acid|CS-0462940

Structure of 99282-79-8

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General Information

  • CAS No. 99282-79-8
  • Cat. No. CS-0462940
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈ClNO₄
  • Molecular Weight 229.62
  • Synonym(s) 2-(CARBOXYMETHYL-AMINO)-4-CHLORO-BENZOIC ACID
  • SMILES C1=CC(=C(C=C1Cl)NCC(=O)O)C(=O)O

Synthesis

  • Route1
    • 2,4-Dichlorobenzoic acid Furosemide Impurity|CS-0229669
      50-84-0
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~91%
    • 2-((Carboxymethyl)amino)-4-chlorobenzoic acid|CS-0462940
      99282-79-8

    References

    • Docampo, Maite L.; Pellon, Rolando F.; Estevez-Braun, Ana; Ravelo, Angel G. European Journal of Organic Chemistry, 2007 , # 24 p. 4111 - 4115
  • Route2
    • null|null
      3926-62-3
    • Benzoic acid, 2-amino-4-chloro-|CS-0654083
      89-77-0
    • ~%
    • 2-((Carboxymethyl)amino)-4-chlorobenzoic acid|CS-0462940
      99282-79-8

    References

    • NYCOMED GMBH; BARTELS, Bjoern; WEINBRENNER, Steffen; MARX, Degenhard; DIEFENBACH, Joerg; DUNKERN, Torsten; MENGE, Wiro M.P.B.; CHRISTIAANS, Johannes A. M. Patent: WO2010/15589 A1, 2010 ; Location in patent: Page/Page column 107 ; WO 2010/015589 A1
  • Route3
    • 2,4-Dichlorobenzoic acid Furosemide Impurity|CS-0229669
      50-84-0
    • null|null
      12775-96-1
    • Glycine, 99%|CS-1269057
      56-40-6
    • ~%
    • 2-((Carboxymethyl)amino)-4-chlorobenzoic acid|CS-0462940
      99282-79-8

    References

    • Hoechst Aktiengesellschaft Patent: US5821385 A1, 1998 ;

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   86.63
  • LogP   1.5347
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   4

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