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CS-W001157 4
Total: USD 88.00

1-(3-(Trifluoromethyl)phenyl)cyclobutane-1-carbonitrile

  • CAS No. 29786-43-4

  • Cat. No. CS-0094484
  • Purity≥95%
  • MDL No.MFCD10692440

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

1-(3-(Trifluoromethyl)phenyl)cyclobutane-1-carbonitrile|CS-0094484

Structure of 29786-43-4

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General Information

  • CAS No. 29786-43-4
  • Cat. No. CS-0094484
  • Purity ≥95%
  • MDL No. MFCD10692440
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀F₃N
  • Molecular Weight 225.21
  • Synonym(s) 1-(3-(Trifluoromethyl)phenyl)cyclobutanecarbonitrile
  • SMILES N#CC1(C2=CC=CC(C(F)(F)F)=C2)CCC1

Synthesis

  • Route1

    References

    • ABBVIE INC.; BAYBURT, Erol K.; CLAPHAM, Bruce; COX, Phil B.; DAANEN, Jerome F.; GOMTSYAN, Arthur; KORT, Michael E.; KYM, Philip R.; VOIGHT, Eric A.; SCHMIDT, Robert G.; DART, Michael J.; GFESSER, Gregory Patent: WO2013/62966 A2, 2013 ; Location in patent: Paragraph 205; 206 ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.65068
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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