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CS-W001157 4
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1-Chloro-2-iodo-3-(trifluoromethyl)benzene

  • CAS No. 203626-41-9

  • Cat. No. CS-0028336
  • Purity≥98%
  • MDL No.None

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

1-Chloro-2-iodo-3-(trifluoromethyl)benzene|CS-0028336

Structure of 203626-41-9

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General Information

  • CAS No. 203626-41-9
  • Cat. No. CS-0028336
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClF₃I
  • Molecular Weight 306.45
  • Synonym(s) 3-CHLORO-2-IODOBENZOTRIFLUORIDE
  • SMILES FC(F)(C1=C(C(Cl)=CC=C1)I)F

Description

1-Chloro-2-iodo-3-(trifluoromethyl)benzene features a trifluoromethyl group flanked by orthogonal halogens, enabling selective cross-coupling in late-stage functionalization. This electron-deficient aryl scaffold integrates seamlessly into pharmaceutical and agrochemical scaffolds, offering enhanced metabolic stability and tailored lipophilicity.

Application

1-Chloro-2-iodo-3-(trifluoromethyl)benzene serves as a versatile diaryl building block for palladium-catalyzed cross-coupling reactions. The orthogonal reactivity of chlorine and iodine enables sequential functionalization, while the trifluoromethyl group imparts enhanced metabolic stability and lipophilicity—key attributes in medicinal chemistry. Bench-stable and compatible with standard coupling conditions, it facilitates efficient construction of complex biaryl scaffolds and heterocyclic systems relevant to pharmaceutical development.

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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