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CS-W001157 4
Total: USD 88.00

2H-1-Benzopyran-3-carbonitrile

  • CAS No. 57543-66-5

  • Cat. No. CS-0208171
  • Purity≥98%
  • MDL No.MFCD00202019

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

2H-1-Benzopyran-3-carbonitrile|CS-0208171

Structure of 57543-66-5

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General Information

  • CAS No. 57543-66-5
  • Cat. No. CS-0208171
  • Purity ≥98%
  • MDL No. MFCD00202019
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇NO
  • Molecular Weight 157.17
  • Synonym(s) 2H-chromene-3-carbonitrile
  • SMILES C1=CC=C2C(=C1)C=C(C#N)CO2

Synthesis

  • Route1
    • null|null
      90-02-8
    • null|null
      107-13-1
    • ~82%
    • In-stock
      2H-1-Benzopyran-3-carbonitrile|CS-0208171
      57543-66-5

    References

    • Song, Song; Zhu, Shou-Fei; Pu, Liu-Yang; Zhou, Qi-Lin Angewandte Chemie - International Edition, 2013 , vol. 52, # 23 p. 6072 - 6075 Angew. Chem., 2013 , vol. 125, # 23 p. 6188 - 6191
  • Route2
    • In-stock
      2-Methylbenzyl alcohol|CS-0152955
      89-95-2
    • null|null
      107-13-1
    • ~78%
    • In-stock
      2H-1-Benzopyran-3-carbonitrile|CS-0208171
      57543-66-5

    References

    • Ravichandran Synthetic Communications, 2001 , vol. 31, # 8 p. 1233 - 1235
  • Route3
    • null|null
      90-02-8
    • ~%
    • In-stock
      2H-1-Benzopyran-3-carbonitrile|CS-0208171
      57543-66-5

    References

    • Taylor; Tomlinson Journal of the Chemical Society, 1950 , p. 2724

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-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   1.98598
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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