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CS-W001157 4
Total: USD 88.00

Ethyl 3-ethynylbenzoate

  • CAS No. 178742-95-5

  • Cat. No. CS-0216070
  • Molecule weight174.20
  • Purity95+%
  • MDL No.MFCD13195274

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

Ethyl 3-ethynylbenzoate|CS-0216070

Structure of 178742-95-5

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General Information

  • CAS No. 178742-95-5
  • Cat. No. CS-0216070
  • Purity 95+%
  • MDL No. MFCD13195274
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂
  • Molecular Weight 174.20
  • Synonym(s) 3-Ethynylbenzoic acid ethyl ester
  • SMILES C#CC1=CC(=CC=C1)C(=O)OCC

Synthesis

  • Route1
    • In-stock
      Ethyl 3-bromobenzoate|CS-W012982
      24398-88-7
    • null|null
      1066-54-2
    • ~%
    • In-stock
      Ethyl 3-ethynylbenzoate|CS-0216070
      178742-95-5

    References

    • Gobbi, Luca Claudio; Gubler, Marcel; Neidhart, Werner; Nettekoven, Matthias Heinrich Patent: US2005/113374 A1, 2005 ; Location in patent: Page/Page column 8; 13 ;
  • Route2

    References

    • NOVARTIS AG; CAPPARELLI, Michael Paul; GAMBER, Gabriel G.; MEREDITH, Erik; MONOVICH, Lauren G.; RAO, Chang; SOLDERMANN, Nicolas Patent: WO2011/9484 A1, 2011 ; WO 2011/009484 A1

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.8446
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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