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CS-W001157 4
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1-Bromoheptane

  • CAS No. 629-04-9

  • Cat. No. CS-W017293
  • Purity≥98%
  • MDL No.MFCD00000273

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

1-Bromoheptane|CS-W017293

Structure of 629-04-9

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General Information

  • CAS No. 629-04-9
  • Cat. No. CS-W017293
  • Purity ≥98%
  • MDL No. MFCD00000273
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₅Br
  • Molecular Weight 179.10
  • Synonym(s) n-Heptyl bromide
  • SMILES CCCCCCCBr

Description

1-Bromoheptane is a linear alkyl bromide featuring a reactive terminal bromine that facilitates efficient SN2 substitution. This colorless liquid exhibits high solubility in common organic solvents and maintains stability under standard bench conditions, enabling reliable use in alkylation workflows and synthetic route development.

Application

1-Bromoheptane serves as a versatile alkylating agent in synthetic organic chemistry, enabling efficient C–C bond formation via nucleophilic substitution reactions. Its linear alkyl chain provides favorable solubility and stability under standard reaction conditions, while the primary bromide functionality ensures high reactivity with a range of nucleophiles including amines, thiols, and carbanions. Widely used in the synthesis of long-chain alkyl derivatives, it functions reliably in Grignard formation and transition-metal-catalyzed coupling protocols, offering predictable performance and straightforward purification.

Synthesis

  • Route1

    References

    • Leadbeater, Nicholas E.; Torenius, Hanna M.; Tye, Heather Tetrahedron, 2003 , vol. 59, # 13 p. 2253 - 2258
  • Route2
    • 1-Fluoroheptane|CS-0699236
      661-11-0
    • ~89%
    • In-stock
      1-Bromoheptane|CS-W017293
      629-04-9

    References

    • Namavari, Mohammad; Satyamurthy; Phelps, Michael E.; Barrio, Jorge R. Tetrahedron Letters, 1990 , vol. 31, # 35 p. 4973 - 4976
  • Route3
    • null|null
      1058649-58-3
    • ~86%
    • In-stock
      1-Bromoheptane|CS-W017293
      629-04-9

    References

    • Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiolah; Mirjafari, Arsalan Comptes Rendus Chimie, 2010 , vol. 13, # 12 p. 1468 - 1473

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H411
Precautionary Statements : P210-P233-P240-P241-P242-P243-P273-P280-P370+P378-P391-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.3517
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   5

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