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CS-W001157 4
Total: USD 88.00

4-Ethynyl-1-methyl-1H-pyrazole-5-carboxylic acid

  • CAS No. 79229-66-6

  • Cat. No. CS-0611456
  • Molecule weight150.13
  • Purity≥98%
  • MDL No.None

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

4-Ethynyl-1-methyl-1H-pyrazole-5-carboxylic acid|CS-0611456

Structure of 79229-66-6

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General Information

  • CAS No. 79229-66-6
  • Cat. No. CS-0611456
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂O₂
  • Molecular Weight 150.13
  • Synonym(s) 4-Ethynyl-2-methyl-2H-pyrazole-3-carboxylic acid
  • SMILES O=C(C1=C(C#C)C=NN1C)O

Synthesis

  • Route1

    References

    • Shvartsberg, M. S.; Vasilevskii, S. F.; Anisimova, T. V.; Gerasimov, V. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1981 , vol. 30, # 6 p. 1071 - 1076 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1981 , # 6 p. 1342 - 1348

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   55.12
  • LogP   0.0996
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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