1-Bromo-2-chloro-4-(trifluoromethoxy)benzene

Name: 1-Bromo-2-chloro-4-(trifluoromethoxy)benzene
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CAS No. 892845-59-9
Cat. No. CS-0041225
Purity≥98%
MDL No.MFCD11111892

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Type	HazMat Fee
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FedEx Limited Quantities Ground	$0.00
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1-Bromo-2-chloro-4-(trifluoromethoxy)benzene|CS-0041225

Structure of 892845-59-9

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General Information

CAS No. 892845-59-9
Cat. No. CS-0041225
Purity ≥98%
MDL No. MFCD11111892
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClF₃O
Molecular Weight 275.45
Synonym(s) 2-Chloro-4-(Trifluoromethoxy)Bromobenzene
SMILES FC(F)(F)OC1=CC(Cl)=C(Br)C=C1

Description

1-Bromo-2-chloro-4-(trifluoromethoxy)benzene features a trifluoromethoxy group that enhances electron-withdrawal and metabolic stability, while the bromo and chloro substituents enable selective cross-coupling reactions. This aryl halide integrates efficiently into complex molecular architectures under standard conditions.

Application

1-Bromo-2-chloro-4-(trifluoromethoxy)benzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The trifluoromethoxy group enhances metabolic stability and lipophilicity, while the bromo and chloro substituents offer selective functionalization pathways. Its bench-stable nature and compatibility with standard purification methods make it ideal for multi-step synthesis workflows.

Safety Information

Download SDS

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 9.23
LogP 4.0011
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-2-chloro-4-(trifluoromethoxy)benzene

CAS No. 892845-59-9

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