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CS-W001157 4
Total: USD 88.00

2-(5-Chlorothiophen-2-yl)acetonitrile

  • CAS No. 42520-90-1

  • Cat. No. CS-0112657
  • Purity≥95%
  • MDL No.None

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

2-(5-Chlorothiophen-2-yl)acetonitrile|CS-0112657

Structure of 42520-90-1

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General Information

  • CAS No. 42520-90-1
  • Cat. No. CS-0112657
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄ClNS
  • Molecular Weight 157.62
  • Synonym(s) 2-(5-Chloro-2-thienyl)acetonitrile
  • SMILES N#CCC1=CC=C(Cl)S1

Synthesis

  • Route1
    • null|null
      60493-06-3
    • ~30%
    • null|null
      60493-05-2
    • 2-(5-Chlorothiophen-2-yl)acetonitrile|CS-0112657
      42520-90-1

    References

    • Schering Aktiengesellschaft Patent: US4031236 A1, 1977 ;
  • Route2
    • null|null
      1190072-73-1
    • ~%
    • In-stock
      2-(Thiophen-2-yl)acetonitrile|CS-W007592
      20893-30-5
    • 2-(5-Chlorothiophen-2-yl)acetonitrile|CS-0112657
      42520-90-1
    • null|null
      89487-92-3

    References

    • Onys'ko, Petro P.; Kim, Tetyana V.; Kiseleva, Olena I.; Rassukana, Yuliya V.; Gakh, Andrei A. Journal of Fluorine Chemistry, 2009 , vol. 130, # 5 p. 501 - 504
  • Route3

    References

    • Cairns; McKusick Journal of Organic Chemistry, 1950 , vol. 15, p. 790,792

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.46758
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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