1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene

Name: 1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 1000578-25-5
Cat. No. CS-0101728
Purity≥98%
MDL No.MFCD09878148

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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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1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene|CS-0101728

Structure of 1000578-25-5

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Description

1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene features a sterically hindered aromatic core with complementary halogenation patterns enabling selective cross-coupling. The tert-butyl group enhances solubility and stability under standard conditions, while the bromo and chloro substituents offer orthogonal reactivity for sequential functionalization in synthetic sequences.

Application

1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene serves as a versatile building block for palladium-catalyzed cross-coupling reactions, enabling the construction of complex aryl architectures with high regiocontrol. The tert-butyl group provides steric bulk and enhanced stability, while the strategically positioned bromo and chloro substituents offer orthogonal reactivity for sequential functionalization. This compound facilitates efficient access to substituted biaryls and heterocyclic scaffolds under standard coupling conditions.

General Information

CAS No. 1000578-25-5
Cat. No. CS-0101728
Purity ≥98%
MDL No. MFCD09878148
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₁Br₂Cl
Molecular Weight 326.46
Synonym(s) 4-Chloro-3,5-dibromo-tert-butylbenzene
SMILES CC(C1=CC(Br)=C(Cl)C(Br)=C1)(C)C

Computational Chemistry Data

TPSA 0
LogP 5.1625
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

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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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1,3-Dibromo-5-(tert-butyl)-2-chlorobenzene

CAS No. 1000578-25-5

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