Tel:

Email:

EN
Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

1-Ethynyl-3-(trifluoromethyl)benzene

  • CAS No. 705-28-2

  • Cat. No. CS-0077611
  • Purity≥95%
  • MDL No.MFCD00467355

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

1-Ethynyl-3-(trifluoromethyl)benzene|CS-0077611

Structure of 705-28-2

Please choose your location and provide accurate information for you
Size Stock
Price Quantity

* Please select Quantity before adding items.

General Information

  • CAS No. 705-28-2
  • Cat. No. CS-0077611
  • Purity ≥95%
  • MDL No. MFCD00467355
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅F₃
  • Molecular Weight 170.13
  • Synonym(s) 3-Ethynyl-alpha,alpha,alpha-trifluorotoluene
  • SMILES FC(F)(F)C1=CC(C#C)=CC=C1

Description

1-Ethynyl-3-(trifluoromethyl)benzene features a trifluoromethyl group positioned ortho to an ethynyl substituent, creating a highly electron-deficient aromatic system. This configuration enhances reactivity in copper-catalyzed coupling reactions, enabling efficient incorporation into complex molecular architectures. The molecule exhibits excellent stability under standard bench conditions and facilitates seamless integration into functionalized scaffolds for materials science and pharmaceutical development.

Application

1-Ethynyl-3-(trifluoromethyl)benzene serves as a versatile building block in transition-metal-catalyzed coupling reactions, enabling efficient access to conjugated arylalkynes. Its trifluoromethyl group enhances metabolic stability and modulates electronic properties, while the terminal alkyne facilitates Sonogashira, Glaser, and click-type transformations. The compound exhibits excellent bench stability and compatibility with diverse functional groups, making it ideal for constructing complex scaffolds in medicinal chemistry and materials science.

Synthesis

  • Route1
    • Trimethyl((3-(trifluoromethyl)phenyl)ethynyl)silane|CS-1214641
      40230-93-1
    • ~75%
    • In-stock
      1-Ethynyl-3-(trifluoromethyl)benzene|CS-0077611
      705-28-2

    References

    • ELI LILLY AND COMPANY Patent: WO2005/94822 A1, 2005 ; Location in patent: Page/Page column 31 ; WO 2005/094822 A1
  • Route2
    • null|null
      401-06-9
    • ~82%
    • In-stock
      1-Ethynyl-3-(trifluoromethyl)benzene|CS-0077611
      705-28-2

    References

    • Kodaira, Kazuo; Okuhara, Kunio Bulletin of the Chemical Society of Japan, 1988 , vol. 61, # 5 p. 1625 - 1632
  • Route3
    • null|null
      79756-83-5
    • ~50%
    • In-stock
      1-Ethynyl-3-(trifluoromethyl)benzene|CS-0077611
      705-28-2

    References

    • Mesnard, Danielle; Bernadou, Francoise; Miginiac, Leone Journal of Chemical Research, Miniprint, 1981 , # 9 p. 3216 - 3245

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅱ
Hazard Statements : H225-H302-H312-H332
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

Quality Control

To search for quality control of cas , please enter both the product number and the lot/batch number.

Computational Chemistry Data

  • TPSA   0
  • LogP   2.6867
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

Other Classifications

Recently Viewed Products

Leave US a Message
Upload Pictures

Key Words

  • 1-Ethynyl-3-(trifluoromethyl)benzene sigma1-Ethynyl-3-(trifluoromethyl)benzene manufacturer1-Ethynyl-3-(trifluoromethyl)benzene price1-Ethynyl-3-(trifluoromethyl)benzene structure1-Ethynyl-3-(trifluoromethyl)benzene SDSbuy 1-Ethynyl-3-(trifluoromethyl)benzene1-Ethynyl-3-(trifluoromethyl)benzene supplier1-Ethynyl-3-(trifluoromethyl)benzene uses1-Ethynyl-3-(trifluoromethyl)benzene molecular weightprice of 1-Ethynyl-3-(trifluoromethyl)benzene1-Ethynyl-3-(trifluoromethyl)benzene chemical name formula of 1-Ethynyl-3-(trifluoromethyl)benzene
This product is not sold in the region.
Confirm
How to get a Lot Number

Lot numbers can be found on the outside label of a product:

ChemScene Label