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Cat. No. Size / Unit Price Qty
CS-W001157 4
Total: USD 88.00

2-Tosylacetonitrile

  • CAS No. 5697-44-9

  • Cat. No. CS-0063812
  • Purity≥98%
  • MDL No.None

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

2-Tosylacetonitrile|CS-0063812

Structure of 5697-44-9

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General Information

  • CAS No. 5697-44-9
  • Cat. No. CS-0063812
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₂S
  • Molecular Weight 195.24
  • Synonym(s) p-Tolylsulfonylacetonitrile
  • SMILES N#CCS(=O)(C1=CC=C(C)C=C1)=O

Synthesis

  • Route1
    • null|null
      824-79-3
    • null|null
      590-17-0
    • ~83%
    • In-stock
      2-Tosylacetonitrile|CS-0063812
      5697-44-9

    References

    • Bram, Georges; Loupy, Andre; Roux-Schmitt, Marie Claude; Sansoulet, Jean; Strzalko, Tekla; Seyden-Penne, Jacqueline Synthesis, 1987 , # 1 p. 56 - 59
  • Route2
    • null|null
      107-14-2
    • null|null
      824-79-3
    • ~93%
    • In-stock
      2-Tosylacetonitrile|CS-0063812
      5697-44-9

    References

    • Sukata Bulletin of the Chemical Society of Japan, 1984 , vol. 57, # 2 p. 613 - 614
  • Route3
    • null|null
      16212-28-5
    • null|null
      824-79-3
    • ~63%
    • In-stock
      2-Tosylacetonitrile|CS-0063812
      5697-44-9

    References

    • Sepiol, Janusz J.; Sepiol, Jadwiga A.; Soulen, Robert L. Journal of Organic Chemistry, 1984 , vol. 49, p. 1125 - 1127

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   1.2923
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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