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CS-W001157 4
Total: USD 88.00

3-Chloro-4-ethoxybenzoic acid

  • CAS No. 213598-15-3

  • Cat. No. CS-0089307
  • Purity≥98%
  • MDL No.MFCD02063066

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

3-Chloro-4-ethoxybenzoic acid|CS-0089307

Structure of 213598-15-3

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General Information

  • CAS No. 213598-15-3
  • Cat. No. CS-0089307
  • Purity ≥98%
  • MDL No. MFCD02063066
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉ClO₃
  • Molecular Weight 200.62
  • Synonym(s) 3-CHLORO-4-ETHOXYBENZOIC ACID 97
  • SMILES O=C(O)C1=CC=C(OCC)C(Cl)=C1

Synthesis

  • Route1

    References

    • AKAAL PHARMA PTY LTD; GILL, Gurmit, S.; GROBELNY, Damian, W. Patent: WO2010/42998 A1, 2010 ; Location in patent: Page/Page column 116 ; WO 2010/042998 A1
  • Route2

    References

    • Journal of the Chemical Society, , p. 3845,3847

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.4369
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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