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CS-W001157 4
Total: USD 88.00

2-(Bromomethyl)-1,3-difluorobenzene

  • CAS No. 85118-00-9

  • Cat. No. CS-W015290
  • Purity≥98%
  • MDL No.MFCD00000329

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

2-(Bromomethyl)-1,3-difluorobenzene|CS-W015290

Structure of 85118-00-9

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General Information

  • CAS No. 85118-00-9
  • Cat. No. CS-W015290
  • Purity ≥98%
  • MDL No. MFCD00000329
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅BrF₂
  • Molecular Weight 207.02
  • Synonym(s) α-Bromo-2,6-difluorotoluene; 2-(Bromomethyl)-1,3-difluorobenzene
  • SMILES FC1=C(CBr)C(F)=CC=C1

Description

2,6-Difluorobenzyl bromide has been used:as reagent in alkylation of the quinazoline-2-thioxo-4-onein the synthesis of 1,3,5-triazine-2,4,6-trionesin the preparation of new classes of inhibitors of bovine viral diarrhea virus (as a surrogate virus for hepatitis C virus)

Application

2-(Bromomethyl)-1,3-difluorobenzene serves as a versatile electrophilic building block in synthetic chemistry, enabling efficient incorporation of fluorinated benzyl motifs into complex molecules. Its bromomethyl group undergoes reliable nucleophilic substitution, palladium-catalyzed coupling, and functionalization under mild conditions. The 1,3-difluoro substitution pattern enhances metabolic stability and modulates electronic properties, making it valuable for medicinal chemistry and agrochemical scaffold development. Bench-stable and readily purified by distillation or chromatography, it supports scalable synthesis and process optimization.

Synthesis

  • Route1

    References

    • Rae, Ian D.; Burgess, David A.; Bombaci, Sebastian; Baron, Margaret L.; Woolcock, Mark L. Australian Journal of Chemistry, 1984 , vol. 37, # 7 p. 1437 - 1446
  • Route2
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    • In-stock
      2-(Bromomethyl)-1,3-difluorobenzene|CS-W015290
      85118-00-9

    References

    • Phosphorus, Sulfur and Silicon and the Related Elements, , vol. 53, # 1-4 p. 43 - 67
  • Route3

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 23, # 4 p. 1110 - 1113

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.8597
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   1

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