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CS-W001157 4
Total: USD 88.00

2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol

  • CAS No. 118689-07-9

  • Cat. No. CS-0441904
  • Purity≥98%
  • MDL No.MFCD12405757

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

2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol|CS-0441904

Structure of 118689-07-9

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General Information

  • CAS No. 118689-07-9
  • Cat. No. CS-0441904
  • Purity ≥98%
  • MDL No. MFCD12405757
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁F₂N₃O₂
  • Molecular Weight 255.22
  • Synonym(s) None
  • SMILES C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CO)O

Description

2-Methylpyrazine is one of the major flavor volatiles reported in rice cakes, roasted peanuts and soybean products.

Synthesis

  • Route1
    • null|null
      847952-06-1
    • ~88%
    • 2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol|CS-0441904
      118689-07-9

    References

    • Meerpoel, Lieven; Backx, Leo J. J.; Van Der Veken, Louis J. E.; Heeres, Jan; Corens, David; De Grout, Alex; Odds, Frank C.; Van Gerven, Frans; Woestenborghs, Filip A. A.; Van Breda, Andre; Oris, Michel; Van Dorsselaer, Pascal; Willemsens, Gustaaf H. M.; Vermuyten, Karen J. P.; Marichal, Patrick J. M. G.; Vanden Bossche, Hugo F.; Ausma, Jannie; Borgers, Marcel Journal of Medicinal Chemistry, 2005 , vol. 48, # 6 p. 2184 - 2193
  • Route2
    • null|null
      156570-15-9
    • ~55%
    • 2-(2,4-Difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propane-1,2-diol|CS-0441904
      118689-07-9

    References

    • Wang, Azhong; Jiang, Huanfeng Journal of Organic Chemistry, 2010 , vol. 75, # 7 p. 2321 - 2326
  • Route3

    References

    • Meerpoel, Lieven; Heeres, Jan; Odds, Frank Christopher; Vanden Bossche, Hugo Florent Adolf; Van der Veken, Louis Jozef Elisabeth Patent: US6387906 B1, 2002 ;

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   71.17
  • LogP   0.4364
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   4

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