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CS-W001157 4
Total: USD 88.00

3,5-Di-tert-Butyl-4-hydroxybenzonitrile

  • CAS No. 1988-88-1

  • Cat. No. CS-0215190
  • Purity≥98%
  • MDL No.None

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

3,5-Di-tert-Butyl-4-hydroxybenzonitrile|CS-0215190

Structure of 1988-88-1

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General Information

  • CAS No. 1988-88-1
  • Cat. No. CS-0215190
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₁NO
  • Molecular Weight 231.33
  • Synonym(s) Benzonitrile,3,5-bis(1,1-diMethylethyl)-4-hydroxy-
  • SMILES CC(C)(C)C1=C(C(=CC(=C1)C#N)C(C)(C)C)O

Synthesis

  • Route1

    References

    • Takeda Chemical Industries, Ltd. Patent: EP1270577 A1, 2003 ;
  • Route2
    • null|null
      20137-66-0
    • ~71%
    • 3,5-Di-tert-Butyl-4-hydroxybenzonitrile|CS-0215190
      1988-88-1
    • null|null
      76056-16-1

    References

    • Tetrahedron Letters, , vol. 21, p. 3407 - 3408
  • Route3
    • null|null
      20600-84-4
    • ~96%
    • 3,5-Di-tert-Butyl-4-hydroxybenzonitrile|CS-0215190
      1988-88-1

    References

    • Nikiforov; Chervin; Ershov; Kostyanovsky Russian Chemical Bulletin, 1996 , vol. 45, # 8 p. 2029 - 2029

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
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

Quality Control

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Computational Chemistry Data

  • TPSA   44.02
  • LogP   3.85888
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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