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CS-W001157 4
Total: USD 88.00

Methyl 4-(difluoromethyl)benzoate

  • CAS No. 444915-76-8

  • Cat. No. CS-0308915
  • Purity≥98%
  • MDL No.MFCD12922540

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

Methyl 4-(difluoromethyl)benzoate|CS-0308915

Structure of 444915-76-8

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General Information

  • CAS No. 444915-76-8
  • Cat. No. CS-0308915
  • Purity ≥98%
  • MDL No. MFCD12922540
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈F₂O₂
  • Molecular Weight 186.16
  • Synonym(s) Benzoic acid, 4-(difluoromethyl)-, methyl ester
  • SMILES COC(=O)C1=CC=C(C=C1)C(F)F

Synthesis

  • Route1

    References

    • Zhang, Hua; Yeung, Kimy; Robbins, Jessica S.; Pavlick, Ryan A.; Wu, Meng; Liu, Ran; Sen, Ayusman; Phillips, Scott T. Angewandte Chemie - International Edition, 2012 , vol. 51, # 10 p. 2400 - 2404
  • Route2
    • null|null
      1415126-27-0
    • ~75%
    • In-stock
      Methyl 4-(difluoromethyl)benzoate|CS-0308915
      444915-76-8

    References

    • Hara, Shoji; Monoi, Miki; Umemura, Ryosuke; Fuse, Chiaki Tetrahedron, 2012 , vol. 68, # 49 p. 10145 - 10150,6
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-(Difluoromethyl)benzoic acid|CS-0157587
      55805-21-5
    • ~97%
    • In-stock
      Methyl 4-(difluoromethyl)benzoate|CS-0308915
      444915-76-8

    References

    • ABBOTT LABORATORIES Patent: US2009/124666 A1, 2009 ; Location in patent: Page/Page column 28 ;

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-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   26.3
  • LogP   2.4108
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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