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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 260355-20-2

  • Cat. No. CS-W012088
  • Purity≥98%
  • MDL No.MFCD09037801

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

1-Chloro-4-iodo-2-(trifluoromethyl)benzene|CS-W012088

Structure of 260355-20-2

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General Information

  • CAS No. 260355-20-2
  • Cat. No. CS-W012088
  • Purity ≥98%
  • MDL No. MFCD09037801
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₃I
  • Molecular Weight 306.45
  • Synonym(s) 2-Chloro-5-iodobenzotrifluoride
  • SMILES FC(F)(F)C1=C(Cl)C=CC(I)=C1

Description

1-Chloro-4-iodo-2-(trifluoromethyl)benzene features a trifluoromethyl group flanked by orthogonal halogens, enabling selective cross-coupling in late-stage functionalization. The chlorine and iodine sites support sequential or divergent transformations under palladium catalysis, offering high chemoselectivity and stability under standard conditions.

Application

1-Chloro-4-iodo-2-(trifluoromethyl)benzene serves as a versatile biaryl building block in cross-coupling chemistry, enabling efficient Pd-catalyzed transformations such as Suzuki-Miyaura and Stille reactions. The orthogonal reactivity of the chloro and iodo groups allows for sequential functionalization, while the trifluoromethyl moiety imparts enhanced metabolic stability and lipophilicity—key attributes in medicinal chemistry. Bench-stable and readily purified, it facilitates streamlined synthesis of complex heterocyclic scaffolds and pharmaceutical intermediates.

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   3.9634
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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