3-Bromo-4-chloro-2-fluoroaniline

Name: 3-Bromo-4-chloro-2-fluoroaniline
Brand: ChemScene
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CAS No. 1539469-93-6
Cat. No. CS-0146366
Purity≥97%
MDL No.None

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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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3-Bromo-4-chloro-2-fluoroaniline|CS-0146366

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General Information

CAS No. 1539469-93-6
Cat. No. CS-0146366
Purity ≥97%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrClFN
Molecular Weight 224.46
Synonym(s) 3-Bromo-4-chloro-2-fluoro-phenylamine
SMILES BrC(C(Cl)=CC=C1N)=C1F

Description

3-Bromo-4-chloro-2-fluoroaniline features a trihalogenated aromatic core with strategic substitution patterns enabling precise functionalization in medicinal chemistry. This electron-deficient aniline derivative facilitates coupling reactions under mild conditions, offering high regioselectivity in the synthesis of bioactive heterocycles and pharmaceutical intermediates.

Application

3-Bromo-4-chloro-2-fluoroaniline serves as a versatile building block for the synthesis of functionalized heterocycles and pharmaceutical intermediates. Its ortho-halogenated aryl amine framework enables efficient Pd-catalyzed cross-coupling reactions, while the complementary halogen reactivity profile supports sequential functionalization. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scale-up in medicinal chemistry campaigns.

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-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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3-Bromo-4-chloro-2-fluoroaniline

CAS No. 1539469-93-6

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