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CS-W001157 4
Total: USD 88.00

2-Fluoro-1-iodo-4-(trifluoromethyl)benzene

  • CAS No. 132554-73-5

  • Cat. No. CS-0096915
  • Purity≥97%
  • MDL No.MFCD07771984

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

2-Fluoro-1-iodo-4-(trifluoromethyl)benzene|CS-0096915

Structure of 132554-73-5

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General Information

  • CAS No. 132554-73-5
  • Cat. No. CS-0096915
  • Purity ≥97%
  • MDL No. MFCD07771984
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₄I
  • Molecular Weight None
  • Synonym(s) 3-FLUORO-4-IODOBENZOTRIFLUORIDE
  • SMILES FC(C1=CC=C(I)C(F)=C1)(F)F

Description

2-Fluoro-1-iodo-4-(trifluoromethyl)benzene features a trifluoromethyl group and iodine at para positions relative to a fluorine substituent, creating a highly electron-deficient aromatic core. This configuration enables efficient cross-coupling reactions under palladium catalysis, delivering complex fluorinated arenes with high regioselectivity. The molecule exhibits enhanced stability and solubility in common organic solvents, facilitating use in diverse synthetic transformations.

Application

2-Fluoro-1-iodo-4-(trifluoromethyl)benzene serves as a versatile aryl building block for palladium-catalyzed cross-coupling reactions. The ortho-iodo and fluoro substituents enable sequential functionalization, while the trifluoromethyl group imparts enhanced metabolic stability and lipophilicity. This compound exhibits excellent bench stability and facilitates efficient coupling with boronic acids, amines, and thiols under standard conditions, making it a reliable scaffold for medicinal chemistry and materials synthesis.

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   0
  • LogP   3.4491
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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