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CS-W001157 4
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4-Fluoro-2-methyl-5-nitrobenzoic acid

  • CAS No. 64695-92-7

  • Cat. No. CS-0098759
  • Purity≥98%
  • MDL No.MFCD11847453
  • 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.

4-Fluoro-2-methyl-5-nitrobenzoic acid|CS-0098759

Structure of 64695-92-7

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Description

4-Fluoro-2-methyl-5-nitrobenzoic acid features a trifunctional aromatic core with electron-withdrawing fluorine, methyl, and nitro groups positioned ortho and para to the carboxylic acid. This combination enhances reactivity in coupling reactions while maintaining stability under standard conditions. The molecule integrates readily into complex scaffolds requiring precise electronic tuning.

Application

4-Fluoro-2-methyl-5-nitrobenzoic acid serves as a versatile building block in medicinal chemistry, enabling the synthesis of substituted heterocycles and bioactive scaffolds. Its ortho-methyl and meta-fluoro substituents provide enhanced regioselectivity in electrophilic aromatic substitution, while the nitro group facilitates downstream transformations such as reduction to aniline derivatives. The carboxylic acid functionality offers direct handle for amide coupling, esterification, or salt formation, supporting purification and derivatization workflows. Bench-stable and compatible with standard synthetic protocols, it functions reliably in multi-step syntheses requiring functional group tolerance and predictable reactivity.

General Information

  • CAS No. 64695-92-7
  • Cat. No. CS-0098759
  • Purity ≥98%
  • MDL No. MFCD11847453
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₄
  • Molecular Weight 199.14
  • Synonym(s) 2-Methyl-5-nitro-4-fluorobenzoic acid
  • SMILES O=C(C1=CC([N+]([O-])=O)=C(C=C1C)F)O

Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.74052
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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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