1-Bromo-4-(tert-butylsulfanyl)benzene

Name: 1-Bromo-4-(tert-butylsulfanyl)benzene
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CAS No. 25752-90-3
Cat. No. CS-0154650
Purity≥98%
MDL No.MFCD04973729

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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1-Bromo-4-(tert-butylsulfanyl)benzene|CS-0154650

Structure of 25752-90-3

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General Information

CAS No. 25752-90-3
Cat. No. CS-0154650
Purity ≥98%
MDL No. MFCD04973729
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₃BrS
Molecular Weight None
Synonym(s) None
SMILES CC(C)(C)SC1=CC=C(C=C1)Br

Description

1-Bromo-4-(tert-butylsulfanyl)benzene features a bromine atom at one para position and a sterically hindered tert-butylthio group at the opposite end of the benzene ring. This electronic and steric configuration enhances stability and facilitates selective coupling reactions in palladium-catalyzed transformations, enabling efficient access to functionalized aryl architectures under standard conditions.

Application

1-Bromo-4-(tert-butylsulfanyl)benzene serves as a versatile building block in cross-coupling reactions, enabling efficient access to biaryl architectures. The bromo group facilitates palladium-catalyzed coupling with boronic acids, while the tert-butylsulfanyl group offers robust stability and orthogonal reactivity. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for modular synthesis of functionalized aromatics and heterocyclic scaffolds.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 0
LogP 4.3397
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Bromo-4-(tert-butylsulfanyl)benzene

CAS No. 25752-90-3

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