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CS-W001157 4
Total: USD 88.00

1-(Bromomethyl)-4-(trifluoromethyl)benzene

  • CAS No. 402-49-3

  • Cat. No. CS-W018337
  • Purity≥98%
  • MDL No.MFCD00000403

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

1-(Bromomethyl)-4-(trifluoromethyl)benzene|CS-W018337

Structure of 402-49-3

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General Information

  • CAS No. 402-49-3
  • Cat. No. CS-W018337
  • Purity ≥98%
  • MDL No. MFCD00000403
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrF₃
  • Molecular Weight 239.03
  • Synonym(s) α-Bromo-α',α',α'-trifluoro-p-xylene
  • SMILES FC(C1=CC=C(CBr)C=C1)(F)F

Synthesis

  • Route1

    References

    • Moriya, Toshimitsu; Yoneda, Shinichiro; Kawana, Keita; Ikeda, Reiko; Konakahara, Takeo; Sakai, Norio Organic Letters, 2012 , vol. 14, # 18 p. 4842 - 4845,4
  • Route2

    References

    • Stefely, Jonathan A.; Palchaudhuri, Rahul; Miller, Patricia A.; Peterson, Rebecca J.; Moraski, Garrett C.; Hergenrother, Paul J.; Miller, Marvin J. Journal of Medicinal Chemistry, 2010 , vol. 53, # 8 p. 3389 - 3395
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    References

    • Smith,P.J.; Bourns,A.N. Canadian Journal of Chemistry, 1970 , vol. 48, p. 125 - 132

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314-H318
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.6003
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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