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CS-W001157 4
Total: USD 88.00

4-(2,2,2-Trifluoroacetyl)benzoic acid

  • CAS No. 58808-59-6

  • Cat. No. CS-0112725
  • Purity≥98%
  • MDL No.MFCD00052340
  • 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.

4-(2,2,2-Trifluoroacetyl)benzoic acid|CS-0112725

Structure of 58808-59-6

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Description

4-(2,2,2-Trifluoroacetyl)benzoic acid features a trifluoromethyl ketone group positioned para to a carboxylic acid on a benzene ring, enabling direct conjugation with nucleophiles or incorporation into bioactive scaffolds. This electron-deficient aryl ketone facilitates efficient Michael additions and serves as a key intermediate in medicinal chemistry for building fluorinated heterocycles under mild conditions.

Application

4-(2,2,2-Trifluoroacetyl)benzoic acid serves as a versatile building block in medicinal chemistry and synthetic organic research. Its trifluoromethyl ketone group enables efficient Michael additions, nucleophilic acyl substitutions, and heterocycle formation under mild conditions. The molecule exhibits good bench stability and facilitates straightforward purification via recrystallization or column chromatography. Functions effectively in the construction of fluorinated aromatic scaffolds relevant to API development and bioactive compound synthesis.

General Information

  • CAS No. 58808-59-6
  • Cat. No. CS-0112725
  • Purity ≥98%
  • MDL No. MFCD00052340
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃O₃
  • Molecular Weight 218.13
  • Synonym(s) 4-(Trifluoroacetyl)benzoic acid
  • SMILES O=C(O)C1=CC=C(C(C(F)(F)F)=O)C=C1

Computational Chemistry Data

  • TPSA   54.37
  • LogP   2.1298
  • H_Acceptors   2
  • 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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