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CS-W001157 4
Total: USD 88.00

1-(2-Bromoethyl)-3-fluorobenzene

  • CAS No. 25017-13-4

  • Cat. No. CS-W015476
  • Purity≥96%
  • MDL No.MFCD03095397

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

1-(2-Bromoethyl)-3-fluorobenzene|CS-W015476

Structure of 25017-13-4

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General Information

  • CAS No. 25017-13-4
  • Cat. No. CS-W015476
  • Purity ≥96%
  • MDL No. MFCD03095397
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈BrF
  • Molecular Weight 203.05
  • Synonym(s) 3-Fluorophenethyl Bromide
  • SMILES FC1=CC(CCBr)=CC=C1

Description

1-(2-Bromoethyl)-3-fluorobenzene features a fluorinated aromatic ring paired with a bromoethyl side chain, enabling seamless integration into cross-coupling reactions. This bench-stable reagent facilitates efficient C–C bond formation under standard conditions.

Application

1-(2-Bromoethyl)-3-fluorobenzene serves as a versatile bifunctional building block for C–C and C–N coupling reactions, enabling efficient synthesis of fluorinated aromatic scaffolds. The bromoethyl group facilitates palladium-catalyzed cross-coupling, while the ortho-fluorine supports directed metallation or electrophilic substitution. Its bench-stable nature and compatibility with diverse reaction conditions make it ideal for constructing complex intermediates in medicinal chemistry and materials science workflows.

Synthesis

  • Route1
    • null|null
      558-13-4
    • In-stock
      Pratraxa impurity 1|CS-W021390
      52059-53-7
    • ~99%
    • In-stock
      1-(2-Bromoethyl)-3-fluorobenzene|CS-W015476
      25017-13-4

    References

    • Merck Sharp and Dohme, Ltd. Patent: US5889008 A1, 1999 ;
  • Route2

    References

    • Schmidt, Axel M.; Eilbracht, Peter Journal of Organic Chemistry, 2005 , vol. 70, # 14 p. 5528 - 5535
  • Route3
    • null|null
      1868-53-7
    • Spiro[2.4]hepta-4,6-diene|CS-0259439
      765-46-8
    • ~49%
    • In-stock
      1-(2-Bromoethyl)-3-fluorobenzene|CS-W015476
      25017-13-4

    References

    • Molchanov, A. P.; Kostikov, R. R. Journal of Organic Chemistry USSR (English Translation), 1992 , vol. 28, # 6.1 p. 935 - 937 Zhurnal Organicheskoi Khimii, 1992 , vol. 28, # 6 p. 1197 - 1199

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   2.7631
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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