4-Bromo-3-chloro-2-fluoroaniline

Name: 4-Bromo-3-chloro-2-fluoroaniline
Brand: ChemScene
Availability: InStock
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CAS No. 115843-99-7
Cat. No. CS-0103942
Purity≥98%
MDL No.MFCD04039280

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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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4-Bromo-3-chloro-2-fluoroaniline|CS-0103942

Structure of 115843-99-7

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General Information

CAS No. 115843-99-7
Cat. No. CS-0103942
Purity ≥98%
MDL No. MFCD04039280
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrClFN
Molecular Weight 224.46
Synonym(s) None
SMILES NC1=CC=C(Br)C(Cl)=C1F

Description

4-Bromo-3-chloro-2-fluoroaniline features a trihalogenated aromatic core enabling precise functionalization in pharmaceutical synthesis. The ortho-fluoro and meta-chloro substituents enhance electrophilic reactivity while maintaining stability under standard conditions. This electron-deficient aniline serves as a key intermediate for heterocyclic scaffolds in drug discovery pipelines.

Application

4-Bromo-3-chloro-2-fluoroaniline serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its ortho-halogenated aniline framework enables palladium-catalyzed cross-coupling reactions with high chemoselectivity, while the fluorine atom enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and facilitates straightforward purification via recrystallization, making it well-suited for scalable process development in medicinal chemistry workflows.

Synthesis

Route1
- 2106-04-9
- ~66%
- In-stock
  
  115843-99-7
References
- WO2011/29392 A1, ; Page/Page column 60 ; WO 2011/029392 A1

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 26.02
LogP 2.8238
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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4-Bromo-3-chloro-2-fluoroaniline

CAS No. 115843-99-7

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