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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 118089-89-7

  • Cat. No. CS-0586143
  • Purity≥98%
  • MDL No.None

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

1-(Bromomethyl)-4-((trifluoromethyl)sulfonyl)benzene|CS-0586143

Structure of 118089-89-7

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General Information

  • CAS No. 118089-89-7
  • Cat. No. CS-0586143
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrF₃O₂S
  • Molecular Weight 303.10
  • Synonym(s) Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)sulfonyl]-
  • SMILES C1=CC(=CC=C1CBr)S(=O)(=O)C(F)(F)F

Synthesis

  • Route1
    • (4-((Trifluoromethyl)sulfonyl)phenyl)methanol|CS-0638897
      219872-98-7
    • ~93%
    • 1-(Bromomethyl)-4-((trifluoromethyl)sulfonyl)benzene|CS-0586143
      118089-89-7

    References

    • Sandham, David A.; Arnold, Nicola; Aschauer, Heinrich; Bala, Kamlesh; Barker, Lucy; Brown, Lyndon; Brown, Zarin; Budd, David; Cox, Brian; Docx, Cerys; Dubois, Gerald; Duggan, Nicholas; England, Karen; Everatt, Brian; Furegati, Marcus; Hall, Edward; Kalthoff, Frank; King, Anna; Leblanc, Catherine J.; Manini, Jodie; Meingassner, Josef; Profit, Rachael; Schmidt, Alfred; Simmons, Jennifer; Sohal, Bindi; Stringer, Rowan; Thomas, Matthew; Turner, Katharine L.; Walker, Christoph; Watson, Simon J.; Westwick, John; Willis, Jennifer; Williams, Gareth; Wilson, Caroline Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 21 p. 6582 - 6591
  • Route2
    • 1-Methyl-4-(trifluoromethylsulfonyl)benzene|CS-0212195
      383-10-8
    • ~34%
    • 1-(Bromomethyl)-4-((trifluoromethyl)sulfonyl)benzene|CS-0586143
      118089-89-7

    References

    • Goumont, Regis; Faucher, Nicolas; Moutiers, Gilles; Tordeux, Marc; Wakselman, Claude Synthesis, 1997 , # 6 p. 691 - 695
  • Route3

    References

    • Goumont, Regis; Faucher, Nicolas; Moutiers, Gilles; Tordeux, Marc; Wakselman, Claude Synthesis, 1997 , # 6 p. 691 - 695

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H312-H314-H332-H335
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   2.875
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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