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CS-W001157 4
Total: USD 88.00

4-(tert-Butoxy)benzonitrile

  • CAS No. 185259-36-3

  • Cat. No. CS-W017441
  • Purity≥98%
  • MDL No.MFCD03425273

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

4-(tert-Butoxy)benzonitrile|CS-W017441

Structure of 185259-36-3

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General Information

  • CAS No. 185259-36-3
  • Cat. No. CS-W017441
  • Purity ≥98%
  • MDL No. MFCD03425273
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO
  • Molecular Weight 175.23
  • Synonym(s) 4-Tert-butoxybenzonitrile
  • SMILES N#CC1=CC=C(OC(C)(C)C)C=C1

Synthesis

  • Route1
    • In-stock
      tert-Butyl 2,2,2-trichloroacetimidate|CS-W009089
      98946-18-0
    • 4-Cyanophenol Febuxostat Impurity|CS-0213981
      767-00-0
    • ~63%
    • In-stock
      4-(tert-Butoxy)benzonitrile|CS-W017441
      185259-36-3

    References

    • Chemistry - A European Journal, , vol. 4, # 8 p. 1570 - 1580
  • Route2
    • In-stock
      4-Chlorobenzonitrile|CS-W018544
      623-03-0
    • null|null
      865-48-5
    • ~83%
    • In-stock
      4-(tert-Butoxy)benzonitrile|CS-W017441
      185259-36-3

    References

    • Journal of Organic Chemistry, , vol. 62, # 16 p. 5413 - 5418

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
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   33.02
  • LogP   2.73558
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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