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CS-W001157 4
Total: USD 88.00

3,5-Diiodo-4-methylbenzaldehyde

  • CAS No. 861118-00-5

  • Cat. No. CS-W007200
  • Molecule weight371.94
  • Purity≥97%
  • MDL No.None

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

3,5-Diiodo-4-methylbenzaldehyde|CS-W007200

Structure of 861118-00-5

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General Information

  • CAS No. 861118-00-5
  • Cat. No. CS-W007200
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆I₂O
  • Molecular Weight 371.94
  • Synonym(s) 3,5-DIIODO-4-METHYL-BENZALDEHYDE
  • SMILES O=CC1=CC(I)=C(C)C(I)=C1

Description

3,5-Diiodo-4-methylbenzaldehyde features a sterically hindered methyl group and two iodine substituents positioned ortho to the aldehyde, enabling direct functionalization in cross-coupling reactions. This electron-deficient aromatic scaffold integrates readily into complex molecular architectures under standard conditions.

Application

3,5-Diiodo-4-methylbenzaldehyde serves as a versatile building block for the synthesis of functionalized aromatic scaffolds, particularly in the development of iodinated heterocycles and bioactive molecules. The aldehyde group enables facile derivatization via nucleophilic addition or condensation reactions, while the ortho-iodo substituents support palladium-catalyzed cross-coupling processes. Bench-stable and compatible with standard purification methods, it functions effectively in multi-step syntheses requiring selective functionalization and high regiocontrol.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.01672
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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