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

Name: 4-Bromo-2-chloro-1-(trifluoromethoxy)benzene
Brand: ChemScene
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CAS No. 158579-80-7
Cat. No. CS-0084311
Purity≥98%
MDL No.MFCD10699114

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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4-Bromo-2-chloro-1-(trifluoromethoxy)benzene|CS-0084311

Structure of 158579-80-7

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Description

4-Bromo-2-chloro-1-(trifluoromethoxy)benzene features a trifluoromethoxy group that enhances electron-withdrawal and metabolic stability, while the ortho-bromo and meta-chloro substituents enable selective coupling in cross-coupling reactions. This aryl halide delivers high functional group tolerance and stability under standard conditions, making it ideal for constructing complex heterocycles and pharmaceutical intermediates.

Application

4-Bromo-2-chloro-1-(trifluoromethoxy)benzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of biaryl scaffolds under palladium-catalyzed conditions. The ortho-chloro and para-bromo substituents offer complementary reactivity for sequential functionalization, while the trifluoromethoxy group provides enhanced metabolic stability and lipophilicity. Bench-stable and readily purified by column chromatography, it functions reliably in Suzuki, Stille, and Negishi couplings, facilitating rapid access to complex heterocyclic architectures common in pharmaceutical discovery.

General Information

CAS No. 158579-80-7
Cat. No. CS-0084311
Purity ≥98%
MDL No. MFCD10699114
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClF₃O
Molecular Weight None
Synonym(s) 4-Bromo-2-chloro-alpha,alpha,alpha-trifluoroanisole, 4-Bromo-2-chlorophenyl trifluoromethyl ether
SMILES FC(F)(F)OC1=CC=C(Br)C=C1Cl

Computational Chemistry Data

TPSA 9.23
LogP 4.0011
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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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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-2-chloro-1-(trifluoromethoxy)benzene

CAS No. 158579-80-7

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