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CS-W001157 4
Total: USD 88.00

1,3-Dibromo-5-(trifluoromethyl)benzene

  • CAS No. 401-84-3

  • Cat. No. CS-W016753
  • Purity≥98%
  • MDL No.MFCD00526219

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

1,3-Dibromo-5-(trifluoromethyl)benzene|CS-W016753

Structure of 401-84-3

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General Information

  • CAS No. 401-84-3
  • Cat. No. CS-W016753
  • Purity ≥98%
  • MDL No. MFCD00526219
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Br₂F₃
  • Molecular Weight 303.90
  • Synonym(s) 1,3-Dibromo-5-(trifluoromethyl)benzene, 3,5-Dibromo-alpha,alpha,alpha-trifluorotoluene
  • SMILES FC(C1=CC(Br)=CC(Br)=C1)(F)F

Description

1,3-Dibromo-5-(trifluoromethyl)benzene features a trifluoromethyl group at the para position relative to a 1,3-dibrominated aromatic core. This electron-deficient scaffold enables efficient coupling in palladium-catalyzed cross-coupling reactions, offering enhanced stability and controlled reactivity for synthetic applications in pharmaceutical and materials chemistry.

Application

1,3-Dibromo-5-(trifluoromethyl)benzene serves as a versatile building block in the synthesis of functionalized aromatic systems, enabling palladium-catalyzed cross-coupling reactions with high efficiency. The electron-withdrawing trifluoromethyl group enhances reactivity and stability, while the ortho-bromine substitution pattern supports sequential functionalization. Its bench-stable nature and compatibility with diverse coupling partners make it ideal for constructing complex heterocycles and pharmaceutical scaffolds.

Synthesis

  • Route1

    References

    • Kunshenko, B. V.; Omarov, V. O.; Muratov, N. N.; Mikhailevskii, S. M.; Yagupol'skii, L. M. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 1.2 p. 108 - 112 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 1 p. 125 - 129
  • Route2

    References

    • Kunshenko, B. V.; Omarov, V. O.; Muratov, N. N.; Mikhailevskii, S. M.; Yagupol'skii, L. M. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 1.2 p. 108 - 112 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 1 p. 125 - 129

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

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.2304
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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