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CS-W001157 4
Total: USD 88.00

tert-Butyl 3,5-difluoro-4-formylbenzoate

  • CAS No. 467442-12-2

  • Cat. No. CS-0128082
  • Purity≥97%
  • MDL No.MFCD11975649

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

tert-Butyl 3,5-difluoro-4-formylbenzoate|CS-0128082

Structure of 467442-12-2

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General Information

  • CAS No. 467442-12-2
  • Cat. No. CS-0128082
  • Purity ≥97%
  • MDL No. MFCD11975649
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂F₂O₃
  • Molecular Weight 242.22
  • Synonym(s) T-butyl 4-formyl-3,5-difluorobenzoate
  • SMILES O=C(OC(C)(C)C)C1=CC(F)=C(C=O)C(F)=C1

Synthesis

  • Route1

    References

    • EXELIXIS, INC.; BOLLU, Venkataiah; BOREN, Brant, Clayton; DALGARD, Jackline; FLATT, Brenton, T.; HAQ, Nadia; HUDSON, Sarah; MOHAN, Raju; MORRISSEY, Michael; PRATT, Benjamin Patent: WO2011/71565 A1, 2011 ; WO 2011/071565 A1

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.7326
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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