1-Bromo-3-(tert-butyl)-5-chlorobenzene

Name: 1-Bromo-3-(tert-butyl)-5-chlorobenzene
Brand: ChemScene
Availability: InStock
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CAS No. 1263377-20-3
Cat. No. CS-0435069
Molecule weight247.56
Purity≥97%
MDL No.MFCD18089328

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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-3-(tert-butyl)-5-chlorobenzene|CS-0435069

Structure of 1263377-20-3

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General Information

CAS No. 1263377-20-3
Cat. No. CS-0435069
Purity ≥97%
MDL No. MFCD18089328
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₂BrCl
Molecular Weight 247.56
Synonym(s) 3-Bromo-5-chloro-tert-butylbenzene
SMILES CC(C1=CC(Cl)=CC(Br)=C1)(C)C

Description

1-Bromo-3-(tert-butyl)-5-chlorobenzene features a sterically shielded tert-butyl group flanked by bromo and chloro substituents, enabling selective cross-coupling in complex molecule assembly. The electron-deficient aromatic core enhances reactivity in palladium-catalyzed transformations, while the bulky alkyl moiety minimizes undesired side reactions. This combination delivers high functional group tolerance and predictable regiochemistry under standard conditions.

Application

1-Bromo-3-(tert-butyl)-5-chlorobenzene serves as a versatile building block in cross-coupling reactions, enabling efficient construction of substituted biaryls and heterocycles. The bromo group facilitates palladium-catalyzed coupling with boronic acids, amines, and other nucleophiles, while the chloro substituent offers orthogonal reactivity under appropriate conditions. The tert-butyl group provides steric protection and enhances solubility, contributing to improved handling and purification. This compound is bench-stable, readily available, and well-suited for iterative synthetic strategies in medicinal chemistry and materials science.

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 : H303-H315-H319-H412
Precautionary Statements : P264-P273-P280-P302+P352-P362-P501

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Computational Chemistry Data

TPSA 0
LogP 4.4
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-3-(tert-butyl)-5-chlorobenzene

CAS No. 1263377-20-3

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