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

Name: 4-Bromo-1-chloro-2-(trifluoromethoxy)benzene
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CAS No. 406232-79-9
Cat. No. CS-0041224
Molecule weight275.45
Purity≥97%
MDL No.MFCD09878140

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Type	HazMat Fee
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4-Bromo-1-chloro-2-(trifluoromethoxy)benzene|CS-0041224

Structure of 406232-79-9

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General Information

CAS No. 406232-79-9
Cat. No. CS-0041224
Purity ≥97%
MDL No. MFCD09878140
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClF₃O
Molecular Weight 275.45
Synonym(s) 5-Bromo-2-chloro(trifluoromethoxy)benzene
SMILES FC(F)(F)OC1=CC(Br)=CC=C1Cl

Description

4-Bromo-1-chloro-2-(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 readily into complex scaffolds under standard palladium-catalyzed conditions.

Application

4-Bromo-1-chloro-2-(trifluoromethoxy)benzene serves as a versatile building block in cross-coupling chemistry, enabling efficient construction of complex aryl architectures. The orthogonal reactivity of bromo and chloro groups facilitates sequential functionalization, while the trifluoromethoxy substituent provides enhanced metabolic stability and lipophilicity—key attributes in medicinal chemistry. This compound exhibits excellent bench stability and compatibility with standard Pd-catalyzed reactions, simplifying purification and scale-up in API synthesis workflows.

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

CAS No. 406232-79-9

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