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CS-W001157 4
Total: USD 88.00

3-(4,4,4-Trifluoro-3-oxobutanoyl)benzonitrile

  • CAS No. 846601-25-0

  • Cat. No. CS-0433176
  • Purity≥95%
  • MDL No.MFCD11849478

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

3-(4,4,4-Trifluoro-3-oxobutanoyl)benzonitrile|CS-0433176

Structure of 846601-25-0

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General Information

  • CAS No. 846601-25-0
  • Cat. No. CS-0433176
  • Purity ≥95%
  • MDL No. MFCD11849478
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₆F₃NO₂
  • Molecular Weight 241.17
  • Synonym(s) 3-(4,4,4-TRIFLUORO-1,3-DIOXOBUTYL)-BENZONITRILE
  • SMILES N#CC1=CC=CC(C(CC(C(F)(F)F)=O)=O)=C1

Safety Information

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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

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   2.26248
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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