4-Bromo-2-tert-butylaniline

Name: 4-Bromo-2-tert-butylaniline
Brand: ChemScene
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CAS No. 850012-44-1
Cat. No. CS-0039209
Purity≥97%
MDL No.MFCD09965991

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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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Structure of 850012-44-1

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Description

4-Bromo-2-tert-butylaniline features a sterically hindered tert-butyl group flanking a brominated aromatic ring, enabling selective coupling reactions under mild conditions. This bench-stable derivative integrates efficiently into complex molecular architectures requiring electron-deficient aryl handles.

Application

4-Bromo-2-tert-butylaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering orthogonal reactivity for Suzuki-Miyaura and Ullmann-type couplings. The tert-butyl group provides steric shielding and enhances metabolic stability, while the bromo substituent enables reliable cross-coupling transformations. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses of complex heterocyclic scaffolds and functionalized aryl systems.

General Information

CAS No. 850012-44-1
Cat. No. CS-0039209
Purity ≥97%
MDL No. MFCD09965991
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₄BrN
Molecular Weight 228.13
Synonym(s) 2-(tert-butyl)-4-bromophenylamine
SMILES NC1=CC=C(Br)C=C1C(C)(C)C

Computational Chemistry Data

TPSA 26.02
LogP 3.3288
H_Acceptors 1
H_Donors 1
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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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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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4-Bromo-2-tert-butylaniline

CAS No. 850012-44-1

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