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

Name: 1-Bromo-4-chloro-2-(trifluoromethyl)benzene
Brand: ChemScene
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CAS No. 344-65-0
Cat. No. CS-W017778
Purity≥98%
MDL No.MFCD00010308

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-Bromo-4-chloro-2-(trifluoromethyl)benzene|CS-W017778

Structure of 344-65-0

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General Information

CAS No. 344-65-0
Cat. No. CS-W017778
Purity ≥98%
MDL No. MFCD00010308
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClF₃
Molecular Weight 259.45
Synonym(s) Benzene, 1-bromo-4-chloro-2-(trifluoromethyl)-
SMILES FC(F)(F)C1=C(Br)C=CC(Cl)=C1

Description

1-Bromo-4-chloro-2-(trifluoromethyl)benzene features a trifluoromethyl 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-4-chloro-2-(trifluoromethyl)benzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions such as Suzuki-Miyaura and Buchwald-Hartwig arylations. The molecule’s orthogonal halogen reactivity—bromine undergoing selective coupling while chlorine remains intact—facilitates sequential functionalization. Its trifluoromethyl group imparts enhanced metabolic stability and lipophilicity, making it valuable for constructing bioactive scaffolds. Bench-stable and amenable to standard purification techniques, it functions reliably in multi-step 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

Quality Control

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Computational Chemistry Data

TPSA 0
LogP 4.1213
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

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-(trifluoromethyl)benzene

CAS No. 344-65-0

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