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CS-W001157 4
Total: USD 88.00

5-Fluoro-2-iodobenzonitrile

  • CAS No. 877868-92-3

  • Cat. No. CS-0131332
  • Purity≥98%
  • MDL No.None
  • HazMat Fee +

    HazMat Fee

    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, except in the following scenarios:

    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.

5-Fluoro-2-iodobenzonitrile|CS-0131332

Structure of 877868-92-3

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Description

5-Fluoro-2-iodobenzonitrile features a fluorinated aromatic ring bearing strategically positioned iodine and nitrile groups, enabling efficient coupling in palladium-catalyzed cross-coupling reactions. The electron-withdrawing nitrile enhances reactivity at the ipso carbon, while the ortho-iodo functionality ensures high regioselectivity. This bench-stable intermediate integrates readily into complex molecular architectures requiring halogen-directed functionalization.

Application

5-Fluoro-2-iodobenzonitrile serves as a versatile building block in cross-coupling chemistry, enabling the construction of biaryl and heteroaryl scaffolds under palladium catalysis. The ortho-iodo and meta-fluoro substituents provide orthogonal reactivity for sequential functionalization, while the nitrile group offers compatibility with nucleophilic additions and subsequent transformations. Bench-stable and amenable to purification via flash chromatography, it facilitates efficient synthesis of complex aromatic systems relevant to pharmaceutical and agrochemical development.

General Information

  • CAS No. 877868-92-3
  • Cat. No. CS-0131332
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃FIN
  • Molecular Weight 247.01
  • Synonym(s) Benzonitrile, 5-fluoro-2-iodo-
  • SMILES N#CC1=CC(F)=CC=C1I

Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.30198
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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
Precautionary Statements : P264-P280-P302+P352-P362

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