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CS-W001157 4
Total: USD 88.00

1-Butyl-4-(trifluoromethyl)benzene

  • CAS No. 61342-04-9

  • Cat. No. CS-0363839
  • Molecule weight202.22
  • Purity≥98%
  • MDL No.None

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

1-Butyl-4-(trifluoromethyl)benzene|CS-0363839

Structure of 61342-04-9

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General Information

  • CAS No. 61342-04-9
  • Cat. No. CS-0363839
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃F₃
  • Molecular Weight 202.22
  • Synonym(s) 4-n-Butylbenzotrifluoride
  • SMILES CCCCC1=CC=C(C=C1)C(F)(F)F

Synthesis

  • Route1

    References

    • Huang, Yuanyuan; Fang, Xin; Lin, Xiaoxi; He, Weiming; Yuan, Yaofeng; Weng, Zhiqiang; Li, Huaifeng; Huang, Kuo-Wei Tetrahedron, 2012 , vol. 68, # 48 p. 9949 - 9953,5
  • Route2

    References

    • Scherer, Stefan; Meudt, Andreas; Nerdinger, Sven; Lehnemann, Bernd Wilhelm; Jagusch, Thomas; Snieckus, Victor Patent: US2009/143586 A1, 2009 ; Location in patent: Page/Page column 5/1 ;
  • Route3

    References

    • Senecal, Todd D.; Parsons, Andrew T.; Buchwald, Stephen L. Journal of Organic Chemistry, 2011 , vol. 76, # 4 p. 1174 - 1176

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   0
  • LogP   4.048
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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