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3-Fluoro-5-methoxybenzonitrile

  • CAS No. 439280-18-9

  • Cat. No. CS-0097829
  • Purity≥98%
  • MDL No.MFCD06797883
  • HazMat Fee +

    HazMat Fee

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    The shipment is processed through FedEx Ground under the Limited Quantity option.

    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-Fluoro-5-methoxybenzonitrile|CS-0097829

Structure of 439280-18-9

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Description

3-Fluoro-5-methoxybenzonitrile features a fluorine atom at the meta position and a methoxy group at the para position relative to the nitrile, creating a uniquely electron-deficient aromatic scaffold. This configuration enhances reactivity in cross-coupling processes while maintaining bench-stable handling characteristics. The molecule integrates readily into pharmaceutical intermediates and functional materials where directional electronic modulation is critical.

Application

3-Fluoro-5-methoxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the aromatic ring via palladium-catalyzed cross-coupling reactions. The nitrile group provides a robust handle for downstream transformations, while the fluorine and methoxy substituents offer favorable electronic and metabolic stability. This compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for iterative synthesis campaigns in API development.

General Information

  • CAS No. 439280-18-9
  • Cat. No. CS-0097829
  • Purity ≥98%
  • MDL No. MFCD06797883
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO
  • Molecular Weight 151.14
  • Synonym(s) 3-fluoro-5-methoxybenzenecarbonitrile
  • SMILES N#CC1=CC(OC)=CC(F)=C1

Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.70598
  • H_Acceptors   2
  • H_Donors   0
  • 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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