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CS-W001157 4
Total: USD 88.00

Pyrotritaric acid

  • CAS No. 636-44-2

  • Cat. No. CS-B1374
  • Purity≥98%
  • MDL No.MFCD00082181

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

Pyrotritaric acid|CS-B1374

Structure of 636-44-2

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General Information

  • CAS No. 636-44-2
  • Cat. No. CS-B1374
  • Purity ≥98%
  • MDL No. MFCD00082181
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈O₃
  • Molecular Weight 140.14
  • Synonym(s) 2,5-Dimethyl-3-furoic acid; 2,5-DIMETHYLFURAN-3-CARBOXYLIC ACID
  • SMILES O=C(C1=C(C)OC(C)=C1)O

Synthesis

  • Route1
    • Ethyl 2,5-dimethyl-furan-3-carboxylate|CS-0342183
      29113-63-1
    • ~96%
    • In-stock
      Pyrotritaric acid|CS-B1374
      636-44-2

    References

    • Wang, Gang-Qiang; Guan, Zhi; Tang, Rong-Chang; Ostojic, Zeljko; Jones, T. Nicholas; Wu, Ting-Ting; He, Yan-Hong Journal of Heterocyclic Chemistry, 2009 , vol. 46, # 3 p. 540 - 543
  • Route2
    • Pyruvic acid, ≥97%|CS-1268663
      127-17-3
    • ~%
    • In-stock
      Pyrotritaric acid|CS-B1374
      636-44-2

    References

    • Chemische Berichte, , vol. 13, p. 1969
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 74, p. 5603

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   1.59464
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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