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CS-W001157 4
Total: USD 88.00

2-(4-Nitro-1H-pyrazol-1-yl)acetic acid

  • CAS No. 6645-69-8

  • Cat. No. CS-0037839
  • Purity≥98%
  • MDL No.MFCD00296933

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

2-(4-Nitro-1H-pyrazol-1-yl)acetic acid|CS-0037839

Structure of 6645-69-8

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General Information

  • CAS No. 6645-69-8
  • Cat. No. CS-0037839
  • Purity ≥98%
  • MDL No. MFCD00296933
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₄
  • Molecular Weight None
  • Synonym(s) (4-nitro-1H-pyrazol-1-yl)acetic acid
  • SMILES C1=NN(C=C1[N+](=O)[O-])CC(=O)O

Synthesis

  • Route1
    • In-stock
      4-Nitropyrazole|CS-W002458
      2075-46-9
    • null|null
      79-08-3
    • ~85%
    • In-stock
      2-(4-Nitro-1H-pyrazol-1-yl)acetic acid|CS-0037839
      6645-69-8

    References

    • CELLZOME LIMITED; HARRISON, Richard John; RAMSDEN, Nigel; MAJOR, Jeremy; MOREL, Adeline; CONVERY, Laura; SUNOSE, Mihiro; LYNCH, Rosemary; ADREGO, Rita; JONES, Alison Patent: WO2013/174895 A1, 2013 ; Location in patent: Page/Page column 70 ;
  • Route2

    References

    • Kanishchev, M. I.; Kral, V.; Arnold, Z.; Semenov, V. V.; Shevelev, S. A.; Fainzil'berg, A. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1986 , vol. 35, # 10 p. 2191 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1986 , # 10 p. 2392
  • Route3

    References

    • CHROMA THERAPEUTICS LTD Patent: WO2006/117552 A1, 2006 ; Location in patent: Page/Page column 50-52 ; WO 2006/117552 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 : H315-H319-H335
Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   98.26
  • LogP   -0.1241
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   3

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