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CS-W001157 4
Total: USD 88.00

5-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde

  • CAS No. 98700-50-6

  • Cat. No. CS-0329972
  • Purity≥98%
  • MDL No.MFCD02681920

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

5-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde|CS-0329972

Structure of 98700-50-6

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General Information

  • CAS No. 98700-50-6
  • Cat. No. CS-0329972
  • Purity ≥98%
  • MDL No. MFCD02681920
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀N₂O
  • Molecular Weight 186.21
  • Synonym(s) 5-methyl-1-phenylpyrazole-4-carbaldehyde
  • SMILES CC1=C(C=NN1C2=CC=CC=C2)C=O

Synthesis

  • Route1
    • (5-Methyl-1-phenyl-1H-pyrazol-4-yl)methanol|CS-0447217
      153863-35-5
    • ~92%
    • 5-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde|CS-0329972
      98700-50-6

    References

    • GLAXO GROUP LIMITED Patent: WO2006/67462 A1, 2006 ; Location in patent: Page/Page column 47 ; WO 2006/067462 A1
  • Route2
    • null|null
      98700-49-3
    • ~%
    • 5-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde|CS-0329972
      98700-50-6

    References

    • Liebigs Annalen der Chemie, , # 7 p. 1377 - 1388
  • Route3
    • null|null
      59-88-1
    • ~%
    • 5-Methyl-1-phenyl-1H-pyrazole-4-carbaldehyde|CS-0329972
      98700-50-6

    References

    • EP2308838 A1, ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.89
  • LogP   1.99322
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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