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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-methylbenzamide

  • CAS No. 170726-98-4

  • Cat. No. CS-0256498
  • Purity95+%
  • MDL No.None

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

3-Fluoro-4-methylbenzamide|CS-0256498

Structure of 170726-98-4

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General Information

  • CAS No. 170726-98-4
  • Cat. No. CS-0256498
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈FNO
  • Molecular Weight 153.15
  • Synonym(s) None
  • SMILES CC1=C(F)C=C(C(N)=O)C=C1

Synthesis

  • Route1

    References

    • The DuPont Merck Pharmaceutical Company Patent: US5849736 A1, 1998 ;
  • Route2
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    • 3-Fluoro-4-methylbenzamide|CS-0256498
      170726-98-4

    References

    • Xue, Chu-Biao; Wityak, John; Sielecki, Thais M.; Pinto, Donald J.; Batt, Douglas G.; Cain, Gary A.; Sworin, Michael; Rockwell, Arlene L.; Roderick, John J.; Wang, Shuaige; Orwat, Michael J.; Frietze, William E.; Bostrom, Lori L.; Liu, Jie; Higley, C. Anne; Rankin, F. Wayne; Tobin, A. Ewa; Emmett, George; Lalka, George K.; Sze, Jean Y.; Di Meo, Susan V.; Mousa, Shaker A.; Thoolen, Martin J.; Racanelli, Adrienne L.; Hausner, Elizabeth A.; Reilly, Thomas M.; DeGrado, William F.; Wexler, Ruth R.; Olson, Richard E. Journal of Medicinal Chemistry, 1997 , vol. 40, # 13 p. 2064 - 2084

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   1.23302
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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