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CS-W001157 4
Total: USD 88.00

tert-Butyl 3-cyanobenzoate

  • CAS No. 383185-76-0

  • Cat. No. CS-0154846
  • Purity≥95%
  • MDL No.MFCD16620851

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

tert-Butyl 3-cyanobenzoate|CS-0154846

Structure of 383185-76-0

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General Information

  • CAS No. 383185-76-0
  • Cat. No. CS-0154846
  • Purity ≥95%
  • MDL No. MFCD16620851
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃NO₂
  • Molecular Weight 203.24
  • Synonym(s) tert-butyl 3-cyanobenzoic acid
  • SMILES CC(C)(C)OC(=O)C1=CC=CC(=C1)C#N

Synthesis

  • Route1
    • In-stock
      3-Cyanobenzoyl chloride|CS-0124966
      1711-11-1
    • null|null
      75-65-0
    • ~85%
    • In-stock
      tert-Butyl 3-cyanobenzoate|CS-0154846
      383185-76-0

    References

    • PTC THERAPEUTICS, INC. Patent: WO2006/44505 A2, 2006 ; Location in patent: Page/Page column 82-83 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.51358
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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