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CS-W001157 4
Total: USD 88.00

4-Acetylphenyl trifluoromethanesulfonate

  • CAS No. 109613-00-5

  • Cat. No. CS-0182176
  • Purity≥98%
  • MDL No.MFCD00191706
  • 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.

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

4-Acetylphenyl trifluoromethanesulfonate|CS-0182176

Structure of 109613-00-5

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Description

4-Acetylphenyl trifluoromethanesulfonate serves as a robust arylating agent in transition-metal-catalyzed cross-coupling reactions. The triflate group enables facile C–C bond formation under mild conditions, while the acetyl moiety provides electronic modulation and enhanced solubility. This reagent offers high stability and ease of handling in synthetic workflows.

Application

4-Acetylphenyl trifluoromethanesulfonate serves as a robust aryl triflate handle for palladium-catalyzed cross-coupling reactions. Its acetyl group provides orthogonal reactivity and facilitates downstream functionalization, while the triflate moiety ensures high stability under bench conditions and efficient coupling in Suzuki, Stille, and Negishi protocols. Ideal for constructing biaryl architectures and heterocyclic scaffolds in medicinal chemistry workflows.

General Information

  • CAS No. 109613-00-5
  • Cat. No. CS-0182176
  • Purity ≥98%
  • MDL No. MFCD00191706
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₇F₃O₄S
  • Molecular Weight 268.21
  • Synonym(s) Trifluoromethanesulfonic Acid 4-Acetylphenyl Ester
  • SMILES O=S(C(F)(F)F)(OC1=CC=C(C(C)=O)C=C1)=O

Computational Chemistry Data

  • TPSA   60.44
  • LogP   2.1176
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

Safety Information

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GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H315-H319-H331-H335-H351
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P362+P364-P405-P501

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