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CS-W001157 4
Total: USD 88.00

2,4-di-tert-Butyl-5-nitrophenol

  • CAS No. 873055-57-3

  • Cat. No. CS-0009368
  • Molecule weight251.32
  • Purity≥98%
  • MDL No.MFCD11052606

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

2,4-di-tert-Butyl-5-nitrophenol|CS-0009368

Structure of 873055-57-3

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General Information

  • CAS No. 873055-57-3
  • Cat. No. CS-0009368
  • Purity ≥98%
  • MDL No. MFCD11052606
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₁NO₃
  • Molecular Weight 251.32
  • Synonym(s) 2,4-Bis(2-methyl-2-propanyl)-5-nitrophenol
  • SMILES OC1=CC([N+]([O-])=O)=C(C(C)(C)C)C=C1C(C)(C)C

Synthesis

  • Route1
    • In-stock
      2,4-Di-tert-butyl-5-nitrophenyl methyl carbonate|CS-M2265
      873055-55-1
    • Ivacaftor Impurity 28|CS-1658509
      873055-56-2
    • ~29%
    • In-stock
      2,4-di-tert-Butyl-5-nitrophenol|CS-0009368
      873055-57-3
    • 2,4-Di-tert-Butyl-6-nitrophenol|CS-0216452
      20039-94-5

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;
  • Route2
    • In-stock
      2,4-Bis(1,1-dimethylethyl)phenyl methyl ester|CS-M2629
      873055-54-0
    • ~%
    • In-stock
      2,4-di-tert-Butyl-5-nitrophenol|CS-0009368
      873055-57-3
    • 2,4-Di-tert-Butyl-6-nitrophenol|CS-0216452
      20039-94-5

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: US2010/168094 A1, 2010 ; Location in patent: Page/Page column 72; 73 ; US 20100168094 A1
  • Route3

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

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-H315-H319-H332-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   63.37
  • LogP   3.8954
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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