3-Bromo-4,5-dichloroaniline

Name: 3-Bromo-4,5-dichloroaniline
Brand: ChemScene
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CAS No. 36406-91-4
Cat. No. CS-0098996
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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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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General Information

CAS No. 36406-91-4
Cat. No. CS-0098996
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrCl₂N
Molecular Weight 240.91
Synonym(s) None
SMILES NC1=CC(Cl)=C(Cl)C(Br)=C1

Description

3-Bromo-4,5-dichloroaniline features a bromine atom at the meta position and two chlorine substituents flanking the amino group, creating a highly electron-deficient aromatic scaffold. This configuration enables direct coupling in Pd-catalyzed cross-coupling reactions, delivering complex heterocycles with enhanced stability under standard conditions.

Application

3-Bromo-4,5-dichloroaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of complex heterocyclic scaffolds. Its well-defined substitution pattern supports orthogonal functionalization, with the bromine facilitating Suzuki-Miyaura and Stille coupling reactions. The molecule exhibits excellent bench stability and is compatible with standard purification methods, making it ideal for multi-step syntheses requiring precise regiocontrol and functional group tolerance.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

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Computational Chemistry Data

TPSA 26.02
LogP 3.3381
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Bromo-4,5-dichloroaniline

CAS No. 36406-91-4

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