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CS-W001157 4
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3-Nitro-1H-pyrazole-4-carbonitrile

  • CAS No. 39205-87-3

  • Cat. No. CS-0044034
  • Purity≥97%
  • MDL No.MFCD00195039
  • HazMat Fee +

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    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

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

3-Nitro-1H-pyrazole-4-carbonitrile|CS-0044034

Structure of 39205-87-3

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Description

3-Nitro-1H-pyrazole-4-carbonitrile features a dual functional group motif—electron-deficient nitro and nitrile moieties—positioned ortho to each other on the pyrazole ring. This arrangement enhances reactivity in transition-metal-catalyzed couplings and facilitates incorporation into bioactive heterocycles. The compound exhibits bench-stable handling characteristics and high solubility in polar organic solvents, streamlining use in synthetic workflows.

Application

3-Nitro-1H-pyrazole-4-carbonitrile serves as a versatile heterocyclic building block for medicinal chemistry and materials science. Its dual electron-withdrawing nitro and nitrile groups enable selective functionalization at C3 and C4 positions, facilitating nucleophilic substitution, metal-catalyzed coupling, and cyclization reactions. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for iterative synthesis of pyrazole-based scaffolds in API development.

General Information

  • CAS No. 39205-87-3
  • Cat. No. CS-0044034
  • Purity ≥97%
  • MDL No. MFCD00195039
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂N₄O₂
  • Molecular Weight 138.08
  • Synonym(s) 1H-Pyrazole-4-carbonitrile,3-nitro-(9CI)
  • SMILES [N+](=O)([O-])C1=N[NH]C=C1C#N

Computational Chemistry Data

  • TPSA   95.61
  • LogP   0.18958
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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