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CS-W001157 4
Total: USD 88.00

1-Fluoro-3,3-dimethyl-1,2-benziodoxole

  • CAS No. 1391728-13-4

  • Cat. No. CS-0196757
  • Purity≥95%
  • MDL No.None

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

1-Fluoro-3,3-dimethyl-1,2-benziodoxole|CS-0196757

Structure of 1391728-13-4

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General Information

  • CAS No. 1391728-13-4
  • Cat. No. CS-0196757
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀FIO
  • Molecular Weight 280.08
  • Synonym(s) 1-Fluoro-3,3-dimethyl-1,3-dihydro-1λ3,2-benziodoxole
  • SMILES CC1(C)C2=CC=CC=C2I(F)O1

Application

1-Fluoro-3,3-dimethyl-1,2-benziodoxole serves as a stable, bench-ready hypervalent iodine reagent that enables efficient C–H fluorination and oxidative functionalization reactions. Its sterically protected aryl iodide core facilitates selective transformations under mild conditions, with excellent functional group tolerance and straightforward purification. This reagent functions as a versatile fluorinating agent in synthetic workflows requiring controlled electrophilic fluorination or heterocycle construction.

Safety Information

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GHS Pictogram :
GHS No : GHS03
Signal Word : Danger
UN#: 1479
Class : 5.1
Packing Group : Ⅱ
Hazard Statements : H272
Precautionary Statements : P210-P220-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   3.4274
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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