4-Chloro-2-fluoro-1-iodobenzene

Name: 4-Chloro-2-fluoro-1-iodobenzene
Brand: ChemScene
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CAS No. 6797-79-1
Cat. No. CS-W014081
Molecule weight256.44
Purity≥98%
MDL No.MFCD00079729

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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4-Chloro-2-fluoro-1-iodobenzene|CS-W014081

Structure of 6797-79-1

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General Information

CAS No. 6797-79-1
Cat. No. CS-W014081
Purity ≥98%
MDL No. MFCD00079729
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₃ClFI
Molecular Weight 256.44
Synonym(s) Benzene, 4-chloro-2-fluoro-1-iodo-
SMILES IC1=CC=C(Cl)C=C1F

Description

4-Chloro-2-fluoro-1-iodobenzene is a trifunctional aryl halide featuring strategically positioned chlorine, fluorine, and iodine substituents. This electron-deficient aromatic scaffold enables efficient cross-coupling reactions, particularly in palladium-catalyzed transformations. The iodine moiety serves as a highly reactive handle for C–C bond formation, while the adjacent fluorine and chlorine groups provide steric and electronic modulation. Bench-stable under standard conditions, this compound integrates seamlessly into complex molecule synthesis workflows.

Application

4-Chloro-2-fluoro-1-iodobenzene serves as a versatile diaryl building block in cross-coupling chemistry, enabling efficient construction of complex biaryl architectures. The orthogonal reactivity of its halogen substituents—iodine for rapid palladium-catalyzed coupling and chlorine/fluorine for selective transformations—facilitates sequential functionalization. Bench-stable and readily purified, it supports scalable synthesis of pharmaceutical intermediates and advanced materials precursors.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501

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Computational Chemistry Data

TPSA 0
LogP 3.0837
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Chloro-2-fluoro-1-iodobenzene

CAS No. 6797-79-1

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