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CS-W001157 4
Total: USD 88.00

2-Chloro-4-fluoro-3-methylbenzonitrile

  • CAS No. 796600-15-2

  • Cat. No. CS-W004249
  • Purity≥95%
  • MDL No.MFCD13193544

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

2-Chloro-4-fluoro-3-methylbenzonitrile|CS-W004249

Structure of 796600-15-2

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General Information

  • CAS No. 796600-15-2
  • Cat. No. CS-W004249
  • Purity ≥95%
  • MDL No. MFCD13193544
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClFN
  • Molecular Weight 169.58
  • Synonym(s) 2-chloro-3-methyl-4-fluorobenzonitrile
  • SMILES CC1=C(F)C=CC(C#N)=C1Cl

Synthesis

  • Route1
    • In-stock
      2-Chloro-4-fluorobenzonitrile|CS-W018016
      60702-69-4
    • null|null
      74-88-4
    • ~74%
    • In-stock
      2-Chloro-4-fluoro-3-methylbenzonitrile|CS-W004249
      796600-15-2

    References

    • ELI LILLY AND COMPANY Patent: WO2006/124447 A2, 2006 ; Location in patent: Page/Page column 45-46 ; WO 2006/124447 A2
  • Route2
    • In-stock
      3-Bromo-2-chloro-6-fluorotoluene|CS-0153674
      203302-92-5
    • null|null
      557-21-1
    • ~73%
    • In-stock
      2-Chloro-4-fluoro-3-methylbenzonitrile|CS-W004249
      796600-15-2

    References

    • Schlienger, Nathalie; Thygesen, Mikkel Boas; Pawlas, Jan; Badalassi, Fabrizio; Lewinsky, Rasmus; Lund, Birgitte Winther; Olsson, Roger Patent: US2006/160845 A1, 2006 ; Location in patent: Page/Page column 19 ;
  • Route3
    • 2-Chloro-4-fluoro-3-methylbenzamide|CS-1191081
      924626-56-2
    • ~%
    • In-stock
      2-Chloro-4-fluoro-3-methylbenzonitrile|CS-W004249
      796600-15-2

    References

    • WO2007/15567 A1, ; Page/Page column 87-88 ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.6592
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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