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CS-W001157 4
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5-(3-Chlorophenyl)furan-2-carboxylic acid

  • CAS No. 41019-44-7

  • Cat. No. CS-0255039
  • Purity95+%
  • MDL No.MFCD02067340

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

5-(3-Chlorophenyl)furan-2-carboxylic acid|CS-0255039

Structure of 41019-44-7

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General Information

  • CAS No. 41019-44-7
  • Cat. No. CS-0255039
  • Purity 95+%
  • MDL No. MFCD02067340
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₇ClO₃
  • Molecular Weight 222.62
  • Synonym(s) 5-(3-Chlorophenyl)furan-2-carboxylic acid, 2-Carboxy-5-(3-chlorophenyl)furan
  • SMILES O=C(C1=CC=C(C2=CC(Cl)=CC=C2)O1)O

Synthesis

  • Route1
    • 5-(3-Chlorophenyl)-2-furaldehyde|CS-0116931
      22078-59-7
    • ~97%
    • 5-(3-Chlorophenyl)furan-2-carboxylic acid|CS-0255039
      41019-44-7

    References

    • Murasawa, Shinpei; Sato, Shinichi; Noguchi-Yachide, Tomomi; Hashimoto, Yuichi; Iuchi, Katsuya; Sodeoka, Mikiko; Dodo, Kosuke; Yokomatsu, Tsutomu; Aoyama, Hiroshi Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 21 p. 6384 - 6393,10
  • Route2
    • null|null
      41019-39-0
    • ~87%
    • 5-(3-Chlorophenyl)furan-2-carboxylic acid|CS-0255039
      41019-44-7

    References

    • Ballard, T. Eric; Wang, Xia; Olekhnovich, Igor; Koerner, Taylor; Seymour, Craig; Salamoun, Joseph; Warthan, Michelle; Hoffman, Paul S.; Macdonald, Timothy L. ChemMedChem, 2011 , vol. 6, # 2 p. 362 - 377
  • Route3

    References

    • Denonne, Frederic; Binet, Sophie; Burton, Maggi; Collart, Philippe; Dipesa, Alan; Ganguly, Tanmoy; Giannaras, Alexander; Kumar, Seema; Lewis, Timothy; Maounis, Florence; Nicolas, Jean-Marie; Mansley, Tamsin; Pasau, Patrick; Preda, Dorin; Stebbins, Karin; Volosov, Alexander; Zou, Dong Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 12 p. 3258 - 3261

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1325
Class : 4.1
Packing Group : Ⅱ
Hazard Statements : H228-H302-H315-H319
Precautionary Statements : P210-P240-P241-P264-P270-P280-P302+P352-P330-P362+P364-P370+P378-P501

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   3.2982
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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