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CS-W001157 4
Total: USD 88.00

1-Methyl-4-nitro-1H-imidazole-5-carbaldehyde

  • CAS No. 85012-73-3

  • Cat. No. CS-0083010
  • Molecule weight155.11
  • Purity≥97%
  • MDL No.MFCD18432538

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

1-Methyl-4-nitro-1H-imidazole-5-carbaldehyde|CS-0083010

Structure of 85012-73-3

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General Information

  • CAS No. 85012-73-3
  • Cat. No. CS-0083010
  • Purity ≥97%
  • MDL No. MFCD18432538
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₅N₃O₃
  • Molecular Weight 155.11
  • Synonym(s) 3-Methyl-5-nitro-3H-imidazole-4-carbaldehyde
  • SMILES CN1C(C=O)=C([N+]([O-])=O)N=C1

Synthesis

  • Route1
    • (1-Methyl-4-nitro-1H-imidazol-5-yl)methanol|CS-0083012
      85012-71-1
    • ~78%
    • 1-Methyl-4-nitro-1H-imidazole-5-carbaldehyde|CS-0083010
      85012-73-3

    References

    • Shafiee, Abbas; Rastkary, Noushin; Jorjani, Masoumeh; Shafaghi, Bijan Archiv der Pharmazie (Weinheim, Germany), 2002 , vol. 335, # 2 p. 69 - 76 Title/Abstract Full Text Show Details Shafiee, Abbas; Rastkary, Noushin; Jorjani, Masoumeh Arzneimittel-Forschung/Drug Research, 2002 , vol. 52, # 7 p. 537 - 542
  • Route2

    References

    • Shafiee, Abbas; Rastkary, Noushin; Jorjani, Masoumeh Arzneimittel-Forschung/Drug Research, 2002 , vol. 52, # 7 p. 537 - 542
  • Route3

    References

    • Shafiee, Abbas; Rastkary, Noushin; Jorjani, Masoumeh Arzneimittel-Forschung/Drug Research, 2002 , vol. 52, # 7 p. 537 - 542

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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   78.03
  • LogP   0.1408
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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