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CS-W001157 4
Total: USD 88.00

1-Bromopropylbenzene

  • CAS No. 2114-36-5

  • Cat. No. CS-0037459
  • Molecule weight199.09
  • Purity≥98%
  • MDL No.None

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

1-Bromopropylbenzene|CS-0037459

Structure of 2114-36-5

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General Information

  • CAS No. 2114-36-5
  • Cat. No. CS-0037459
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁Br
  • Molecular Weight 199.09
  • Synonym(s) (1-Bromopropyl)benzene
  • SMILES CCC(C1=CC=CC=C1)Br

Description

1-Bromopropylbenzene features a propyl chain tethered to a benzene ring via a bromine atom, delivering a reactive handle for cross-coupling and nucleophilic substitution reactions. This bench-stable compound integrates readily into synthetic pathways requiring arylalkyl halide intermediates.

Application

1-Bromopropylbenzene serves as a versatile alkylating agent in synthetic organic chemistry, enabling efficient C–C bond formation via nucleophilic substitution. Its benzylic bromide functionality exhibits high reactivity under mild conditions while maintaining bench stability and ease of purification. Widely employed in the construction of pharmaceutical intermediates and functionalized aromatic scaffolds, it functions effectively in palladium-catalyzed coupling reactions and Grignard additions, offering reliable performance in standard laboratory workflows.

Synthesis

  • Route1
    • 1-Phenyl-1-propanol, ≥97%|CS-1269610
      93-54-9
    • ~94%
    • In-stock
      1-Bromopropylbenzene|CS-0037459
      2114-36-5

    References

    • Pandey, Rajesh K.; Wakharkar; Kumar, Pradeep Synthetic Communications, 2005 , vol. 35, # 21 p. 2795 - 2800
  • Route2
    • null|null
      103-65-1
    • ~83%
    • In-stock
      1-Bromopropylbenzene|CS-0037459
      2114-36-5

    References

    • Meynhardt; Luening; Wolff; Naether European Journal of Organic Chemistry, 1999 , # 9 p. 2327 - 2335
  • Route3
    • 1-Phenyl-1-propanol, ≥97%|CS-1269610
      93-54-9
    • ~%
    • null|null
      1196-45-8
    • null|null
      4962-45-2
    • In-stock
      1-Bromopropylbenzene|CS-0037459
      2114-36-5
    • null|null
      2114-00-3

    References

    • Cami-Kobeci, Gerta; Williams, Jonathan M.J. Synlett, 2003 , # 1 p. 124 - 126

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H302-H314
Precautionary Statements : P260-P264-P270-P280-P301+P330+P331-P304+P340-P330-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.5326
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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