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CS-W001157 4
Total: USD 88.00

1-Ethynyl-3,5-bis(trifluoromethyl)benzene

  • CAS No. 88444-81-9

  • Cat. No. CS-0100907
  • Purity≥96%
  • MDL No.MFCD01861850

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

1-Ethynyl-3,5-bis(trifluoromethyl)benzene|CS-0100907

Structure of 88444-81-9

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General Information

  • CAS No. 88444-81-9
  • Cat. No. CS-0100907
  • Purity ≥96%
  • MDL No. MFCD01861850
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₄F₆
  • Molecular Weight 238.13
  • Synonym(s) Benzene, 1-ethynyl-3,5-bis(trifluoromethyl)-
  • SMILES C#CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1

Synthesis

  • Route1
    • null|null
      1092543-19-5
    • ~92%
    • In-stock
      1-Ethynyl-3,5-bis(trifluoromethyl)benzene|CS-0100907
      88444-81-9

    References

    • Beshai, Mira; Dhudshia, Bhartesh; Mills, Ryan; Thadani, Avinash N. Tetrahedron Letters, 2008 , vol. 49, # 48 p. 6794 - 6796
  • Route2
    • null|null
      618092-28-7
    • ~98%
    • In-stock
      1-Ethynyl-3,5-bis(trifluoromethyl)benzene|CS-0100907
      88444-81-9

    References

    • Mujkic, Monika; Lentz, Dieter Dalton Transactions, 2012 , vol. 41, # 3 p. 839 - 849
  • Route3
    • null|null
      118527-38-1
    • ~87%
    • In-stock
      1-Ethynyl-3,5-bis(trifluoromethyl)benzene|CS-0100907
      88444-81-9

    References

    • Kodaira, Kazuo; Okuhara, Kunio Bulletin of the Chemical Society of Japan, 1988 , vol. 61, # 5 p. 1625 - 1632

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.7055
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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