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CS-W001157 4
Total: USD 88.00

4-(3,5-Dimethyl-1h-pyrazol-1-yl)benzoic acid

  • CAS No. 81282-82-8

  • Cat. No. CS-0126729
  • Molecule weight216.24
  • Purity≥98%
  • MDL No.MFCD03011525

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

4-(3,5-Dimethyl-1h-pyrazol-1-yl)benzoic acid|CS-0126729

Structure of 81282-82-8

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General Information

  • CAS No. 81282-82-8
  • Cat. No. CS-0126729
  • Purity ≥98%
  • MDL No. MFCD03011525
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂O₂
  • Molecular Weight 216.24
  • Synonym(s) OTAVA-BB BB7110950792
  • SMILES O=C(O)C1=CC=C(N2N=C(C)C=C2C)C=C1

Synthesis

  • Route1
    • 4-Hydrazinylbenzoic acid Lamivudine  Impurity|CS-0229071
      619-67-0
    • null|null
      123-54-6
    • ~99%
    • 4-(3,5-Dimethyl-1h-pyrazol-1-yl)benzoic acid|CS-0126729
      81282-82-8

    References

    • METHYLGENE, INC. Patent: WO2005/30704 A1, 2005 ; Location in patent: Page/Page column 230 ;
  • Route2
    • 4-Hydrazinylbenzoic acid Lamivudine  Impurity|CS-0229071
      619-67-0
    • ~80%
    • 4-(3,5-Dimethyl-1h-pyrazol-1-yl)benzoic acid|CS-0126729
      81282-82-8

    References

    • MethylGene, Inc. Patent: US6897220 B2, 2005 ; US 6897220 B2

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   55.12
  • LogP   2.18734
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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