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

Name: 1-Bromo-4-chloro-2-(difluoromethoxy)benzene
Brand: ChemScene
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CAS No. 1056942-37-0
Cat. No. CS-0163269
Purity≥98%
MDL No.None

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1-Bromo-4-chloro-2-(difluoromethoxy)benzene|CS-0163269

Structure of 1056942-37-0

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Description

1-Bromo-4-chloro-2-(difluoromethoxy)benzene features a trifunctional aryl scaffold with orthogonal reactivity, enabling sequential cross-coupling and functionalization. The difluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the bromo and chloro substituents offer complementary coupling handles for Pd-catalyzed transformations under standard conditions. This compound serves as a versatile building block in medicinal chemistry and materials synthesis.

Application

1-Bromo-4-chloro-2-(difluoromethoxy)benzene serves as a versatile building block in medicinal chemistry and materials synthesis, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig couplings. The molecule's ortho-halogenated structure provides predictable regioselectivity, while the difluoromethoxy group enhances metabolic stability and modulates lipophilicity. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient functionalization in multi-step syntheses.

General Information

CAS No. 1056942-37-0
Cat. No. CS-0163269
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄BrClF₂O
Molecular Weight 257.46
Synonym(s) 2-Bromo-5-chlorophenyl difluoromethyl ether
SMILES FC(F)OC1=CC(Cl)=CC=C1Br

Computational Chemistry Data

TPSA 9.23
LogP 3.7039
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 2

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

Quality Control

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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-4-chloro-2-(difluoromethoxy)benzene

CAS No. 1056942-37-0

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