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3-Methylfuran-2-carboxylic acid

  • CAS No. 4412-96-8

  • Cat. No. CS-0059276
  • Purity≥98%
  • MDL No.MFCD00014111

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

3-Methylfuran-2-carboxylic acid|CS-0059276

Structure of 4412-96-8

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General Information

  • CAS No. 4412-96-8
  • Cat. No. CS-0059276
  • Purity ≥98%
  • MDL No. MFCD00014111
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₆O₃
  • Molecular Weight 126.11
  • Synonym(s) 3-Methylpyromucic acid
  • SMILES O=C(C1=C(C)C=CO1)O

Synthesis

  • Route1

    References

    • Montana, Angel M.; Castellvi, Maria; Batalla, Consuelo; Grima, Pedro M.; Font-Bardia, Merce Tetrahedron, 2012 , vol. 68, # 48 p. 9982 - 9998,17 Title/Abstract Full Text Show Details Montana, Angel M.; Grima, Pedro M.; Castellvi, Maria; Batalla, Consuelo; Font-Bardia, Merce Tetrahedron, 2012 , vol. 68, # 48 p. 9982 - 9998
  • Route2
    • 3-Methylfuran-2-carbonitrile|CS-0305141
      84374-68-5
    • ~%
    • In-stock
      3-Methylfuran-2-carboxylic acid|CS-0059276
      4412-96-8

    References

    • Sherman; Amstutz Journal of the American Chemical Society, 1950 , vol. 72, p. 2195,2198
  • Route3
    • 3-(Chloromethyl)Furan|CS-0764505
      14497-29-1
    • ~%
    • In-stock
      3-Methylfuran-2-carboxylic acid|CS-0059276
      4412-96-8

    References

    • Sherman; Amstutz Journal of the American Chemical Society, 1950 , vol. 72, p. 2195,2198

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.44
  • LogP   1.28622
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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