1-Bromo-4-fluoro-3,5-dimethylbenzene

Name: 1-Bromo-4-fluoro-3,5-dimethylbenzene
Brand: ChemScene
Availability: InStock
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CAS No. 99725-44-7
Cat. No. CS-B0858
Purity≥97%
MDL No.MFCD01320701

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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-fluoro-3,5-dimethylbenzene|CS-B0858

Structure of 99725-44-7

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Description

1-Bromo-4-fluoro-3,5-dimethylbenzene features a trifunctional aromatic core with bromo, fluoro, and two methyl groups positioned for orthogonal reactivity. This electron-deficient scaffold enables selective coupling in cross-coupling reactions, offering enhanced stability under standard conditions. The steric protection from adjacent methyl substituents improves handling and shelf life.

Application

1-Bromo-4-fluoro-3,5-dimethylbenzene serves as a versatile aryl building block for palladium-catalyzed cross-coupling reactions, enabling efficient construction of biaryl and functionalized aromatic scaffolds. The ortho-dimethyl substitution provides steric protection and enhances bench stability, while the bromo and fluoro groups offer complementary reactivity in sequential coupling strategies. This compound exhibits excellent functional group tolerance and facilitates straightforward purification, making it well-suited for applications in medicinal chemistry and materials science.

General Information

CAS No. 99725-44-7
Cat. No. CS-B0858
Purity ≥97%
MDL No. MFCD01320701
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈BrF
Molecular Weight 203.05
Synonym(s) 5-Bromo-1,3-dimethyl-2-fluorobenzene; 5-Bromo-2-fluoro-1,3-dimethylbenzene; 5-Bromo-2-fluoro-m-xylene; Benzene, 5-bromo-2-fluoro-1,3-dimethyl-
SMILES CC1=C(F)C(C)=CC(Br)=C1

Computational Chemistry Data

TPSA 0
LogP 3.20504
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

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 Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Drug Discovery Metabolic Disease GLP-1R

Key Words

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1-Bromo-4-fluoro-3,5-dimethylbenzene

CAS No. 99725-44-7

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