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CS-W001157 4
Total: USD 88.00

4-Fluorobenzoyl cyanide

  • CAS No. 658-13-9

  • Cat. No. CS-0313938
  • Purity≥96%
  • MDL No.None

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

4-Fluorobenzoyl cyanide|CS-0313938

Structure of 658-13-9

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General Information

  • CAS No. 658-13-9
  • Cat. No. CS-0313938
  • Purity ≥96%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄FNO
  • Molecular Weight 149.12
  • Synonym(s) (4-FLUORO-PHENYL)-OXO-ACETONITRILE
  • SMILES C1=C(C=CC(=C1)F)C(=O)C#N

Synthesis

  • Route1

    References

    • Olah, George A.; Arvanaghi, Massoud; Prakash, G. K. Surya Synthesis, 1983 , # 8 p. 636 - 637
  • Route2

    References

    • Hoffmann, H. M. R.; Haase, Klaus; Ismail, Zeinhom M.; Preftitsi, Stamatia; Weber, Anette Chemische Berichte, 1982 , vol. 115, # 12 p. 3880 - 3885
  • Route3
    • null|null
      462-06-6
    • Carbonyl dicyanide|CS-0534571
      1115-12-4
    • ~%
    • 4-Fluorobenzoyl cyanide|CS-0313938
      658-13-9

    References

    • Roczniki Chemii, , vol. 35, p. 813 - 820

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.53198
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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