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CS-W001157 4
Total: USD 88.00

4-Ethynylbenzonitrile

  • CAS No. 3032-92-6

  • Cat. No. CS-W007419
  • Purity≥96%
  • MDL No.MFCD04974058

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

4-Ethynylbenzonitrile|CS-W007419

Structure of 3032-92-6

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General Information

  • CAS No. 3032-92-6
  • Cat. No. CS-W007419
  • Purity ≥96%
  • MDL No. MFCD04974058
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₅N
  • Molecular Weight 127.14
  • Synonym(s) Benzonitrile, 4-ethynyl-
  • SMILES C(#C)C1=CC=C(C#N)C=C1

Description

The water complexes formed with 4-ethynylbenzonitrile (4EBzN) were studied using IR-UV double resonance spectroscopy.

Synthesis

  • Route1
    • null|null
      90965-06-3
    • In-stock
      4-Cyanobenzaldehyde|CS-W001948
      105-07-7
    • ~73%
    • In-stock
      4-Ethynylbenzonitrile|CS-W007419
      3032-92-6

    References

    • Baxendale, Ian R.; Ley, Steven V.; Mansfield, Andrew C.; Smith, Christopher D. Angewandte Chemie, International Edition, 2009 , vol. 48, p. 4017 - 4021 Angewandte Chemie, 2009 , vol. 121, p. 4077 - 4081
  • Route2
    • 2-((Trimethylsilyl)ethynyl)benzonitrile|CS-0227359
      97308-62-8
    • ~%
    • In-stock
      4-Ethynylbenzonitrile|CS-W007419
      3032-92-6

    References

    • WO2005/82898 A1, ; Page/Page column 62 ;
  • Route3

    References

    • Organic Letters, , vol. 8, # 4 p. 717 - 720

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

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   1.53958
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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