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CS-W001157 4
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2-(Tert-butylsulfonyl)acetonitrile

  • CAS No. 81536-18-7

  • Cat. No. CS-0319391
  • Molecule weight161.22
  • Purity95+%
  • MDL No.None

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

2-(Tert-butylsulfonyl)acetonitrile|CS-0319391

Structure of 81536-18-7

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General Information

  • CAS No. 81536-18-7
  • Cat. No. CS-0319391
  • Purity 95+%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₁NO₂S
  • Molecular Weight 161.22
  • Synonym(s) TERT-BUTYLSULFONYLACETONITRILE
  • SMILES CC(C)(C)S(=O)(=O)CC#N

Synthesis

  • Route1
    • null|null
      49827-12-5
    • ~%
    • 2-(Tert-butylsulfonyl)acetonitrile|CS-0319391
      81536-18-7

    References

    • Journal of Organic Chemistry, , vol. 75, # 11 p. 3920 - 3922

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H319-H331-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   57.93
  • LogP   0.72328
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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