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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-methylbenzonitrile

  • CAS No. 170572-49-3

  • Cat. No. CS-W002443
  • Purity≥97%
  • MDL No.MFCD00153174

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

3-Fluoro-4-methylbenzonitrile|CS-W002443

Structure of 170572-49-3

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General Information

  • CAS No. 170572-49-3
  • Cat. No. CS-W002443
  • Purity ≥97%
  • MDL No. MFCD00153174
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FN
  • Molecular Weight 135.14
  • Synonym(s) 3-FLUORO-P-TOLUNITRILE
  • SMILES N#CC1=CC=C(C)C(F)=C1

Synthesis

  • Route1
    • null|null
      59189-97-8
    • ~99%
    • In-stock
      3-Fluoro-4-methylbenzonitrile|CS-W002443
      170572-49-3

    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
  • Route2

    References

    • Corvas International, Inc. Patent: US2002/37857 A1, 2002 ; Title/Abstract Full Text Show Details Corvas International, Inc. Patent: US6586405 B2, 2003 ;
  • Route3
    • null|null
      104-85-8
    • ~59%
    • In-stock
      3-Fluoro-4-methylbenzonitrile|CS-W002443
      170572-49-3

    References

    • Chambers, Richard D.; Hutchinson, John; Sparrowhawk, Matthew E.; Sandford, Graham; Moilliet, John S.; Thomson, Julie Journal of Fluorine Chemistry, 2000 , vol. 102, # 1-2 p. 169 - 173

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.0058
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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