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CS-W001157 4
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1-(Bromomethyl)-3-nitro-5-(trifluoromethyl)benzene

  • CAS No. 180146-67-2

  • Cat. No. CS-0565743
  • Molecule weight284.03
  • Purity≥98%
  • MDL No.None

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

1-(Bromomethyl)-3-nitro-5-(trifluoromethyl)benzene|CS-0565743

Structure of 180146-67-2

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General Information

  • CAS No. 180146-67-2
  • Cat. No. CS-0565743
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrF₃NO₂
  • Molecular Weight 284.03
  • Synonym(s) None
  • SMILES BrCC1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1

Synthesis

  • Route1

    References

    • Gould, Alexandra E.; Adams, Ruth; Adhikari, Sharmila; Aertgeerts, Kathleen; Afroze, Roushan; Blackburn, Christopher; Calderwood, Emily F.; Chau, Ryan; Chouitar, Jouhara; Duffey, Matthew O.; England, Dylan B.; Farrer, Cheryl; Forsyth, Nancy; Garcia, Khristofer; Gaulin, Jeffery; Greenspan, Paul D.; Guo, Ribo; Harrison, Sean J.; Huang, Shih-Chung; Iartchouk, Natalia; Janowik, Dave; Kim, Mi-Sook; Kulkarni, Bheemashankar; Langston, Steven P.; Liu, Jane X.; Ma, Li-Ting; Menon, Saurabh; Mizutani, Hirotake; Paske, Erin; Renou, Christelle C.; Rezaei, Mansoureh; Rowland, R. Scott; Sintchak, Michael D.; Smith, Michael D.; Stroud, Stephen G.; Tregay, Ming; Tian, Yuan; Veiby, Ole P.; Vos, Tricia J.; Vyskocil, Stepan; Williams, Juliet; Xu, Tianlin; Yang, Johnny J.; Yano, Jason; Zeng, Hongbo; Zhang, Dong Mei; Zhang, Qin; Galvin, Katherine M. Journal of Medicinal Chemistry, 2011 , vol. 54, # 6 p. 1836 - 1846

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P280-P301+P330+P331

Quality Control

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   3.5085
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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