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

Name: 2-Bromo-1-chloro-4-(trifluoromethyl)benzene
Brand: ChemScene
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CAS No. 454-78-4
Cat. No. CS-W012519
Purity≥98%
MDL No.MFCD00018093

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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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2-Bromo-1-chloro-4-(trifluoromethyl)benzene|CS-W012519

Structure of 454-78-4

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General Information

CAS No. 454-78-4
Cat. No. CS-W012519
Purity ≥98%
MDL No. MFCD00018093
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃BrClF₃
Molecular Weight 259.45
Synonym(s) 4-Chloro-3-bromobenzotrifluoride
SMILES FC(C1=CC=C(Cl)C(Br)=C1)(F)F

Description

2-Bromo-1-chloro-4-(trifluoromethyl)benzene features a trifluoromethyl group that imparts strong electron-withdrawal and enhanced metabolic stability, while the bromo and chloro substituents enable selective cross-coupling reactions under standard conditions. This aryl halide serves as a key building block in pharmaceutical synthesis and materials chemistry.

Application

2-Bromo-1-chloro-4-(trifluoromethyl)benzene serves as a versatile building block in medicinal chemistry and materials science, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The trifluoromethyl group enhances metabolic stability and lipophilicity, while the strategic placement of bromo and chloro substituents allows for sequential functionalization. This compound exhibits excellent bench stability and facilitates efficient purification, making it well-suited for scalable synthesis of complex aromatic scaffolds.

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

CAS No. 454-78-4

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