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CS-W001157 4
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1-Fluoro-3-iodopropane

  • CAS No. 462-40-8

  • Cat. No. CS-0121313
  • Purity≥98%
  • MDL No.MFCD07784197

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

1-Fluoro-3-iodopropane|CS-0121313

Structure of 462-40-8

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General Information

  • CAS No. 462-40-8
  • Cat. No. CS-0121313
  • Purity ≥98%
  • MDL No. MFCD07784197
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₃H₆FI
  • Molecular Weight 187.98
  • Synonym(s) Propane,1-fluoro-3-iodo- (6CI,9CI)
  • SMILES ICCCF

Description

1-Fluoro-3-iodopropane is a bifunctional alkylating agent featuring a fluorine atom and an iodine group at terminal positions of a three-carbon chain. This arrangement enables sequential functionalization in cross-coupling and nucleophilic substitution reactions. The molecule exhibits high reactivity toward soft nucleophiles, facilitating efficient C–C and C–heteroatom bond formation under mild conditions. Its stability under standard handling protocols supports reliable use in synthetic workflows.

Application

1-Fluoro-3-iodopropane serves as a versatile bifunctional building block for C–C and C–heteroatom bond formation. The fluorine and iodine termini enable sequential cross-coupling reactions, including Suzuki-Miyaura and Negishi couplings, with high chemoselectivity. Its stability under standard reaction conditions and compatibility with diverse functional groups facilitate efficient synthesis of linear alkyl chains and heterocyclic scaffolds in medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Chesis; Hwang; Welch Journal of medicinal chemistry, 1990 , vol. 33, # 5 p. 1482 - 1490
  • Route2

    References

    • Pattison; Howell Journal of Organic Chemistry, 1956 , vol. 21, p. 748,749
  • Route3
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    • In-stock
      1-Fluoro-3-iodopropane|CS-0121313
      462-40-8

    References

    • Pattison; Howell Journal of Organic Chemistry, 1956 , vol. 21, p. 748,749

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   1.781
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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