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

CAS No. 261951-96-6
Cat. No. CS-0059177
Purity≥96%
MDL No.MFCD01631545

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1-Bromo-2-methyl-4-(trifluoromethoxy)benzene|CS-0059177

Structure of 261951-96-6

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Description

1-Bromo-2-methyl-4-(trifluoromethoxy)benzene features a trifluoromethoxy group flanked by bromo and methyl substituents on a benzene ring, enabling efficient cross-coupling reactions. This electron-deficient aryl halide integrates readily into complex molecular architectures under standard conditions.

Application

1-Bromo-2-methyl-4-(trifluoromethoxy)benzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. The bromine moiety facilitates palladium-catalyzed coupling with boronic acids, esters, and organozinc reagents under standard conditions. The trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the methyl substituent provides steric and electronic modulation—ideal for medicinal chemistry applications requiring balanced physicochemical properties.

General Information

CAS No. 261951-96-6
Cat. No. CS-0059177
Purity ≥96%
MDL No. MFCD01631545
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrF₃O
Molecular Weight 255.03
Synonym(s) 2-Bromo-5-(trifluoromethoxy)toluene
SMILES FC(F)(F)OC1=CC=C(Br)C(C)=C1

Computational Chemistry Data

TPSA 9.23
LogP 3.65612
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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

CAS No. 261951-96-6

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