5-Bromo-2-chloro-4-fluoroaniline

Name: 5-Bromo-2-chloro-4-fluoroaniline
Brand: ChemScene
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CAS No. 305795-89-5
Cat. No. CS-0041965
Purity≥97%
MDL No.MFCD21603962

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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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5-Bromo-2-chloro-4-fluoroaniline|CS-0041965

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General Information

CAS No. 305795-89-5
Cat. No. CS-0041965
Purity ≥97%
MDL No. MFCD21603962
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrClFN
Molecular Weight 224.46
Synonym(s) 5-Bromo-2-chloro-4-fluoro-phenylamine
SMILES NC1=CC(Br)=C(F)C=C1Cl

Description

5-Bromo-2-chloro-4-fluoroaniline features a trihalogenated aromatic core enabling precise functionalization in pharmaceutical and agrochemical synthesis. The strategically positioned bromo, chloro, and fluoro substituents offer enhanced reactivity and metabolic stability. This electron-deficient aniline derivative facilitates coupling reactions under mild conditions and serves as a key intermediate in the development of bioactive molecules.

Application

5-Bromo-2-chloro-4-fluoroaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct substitution at the aniline nitrogen or on the aromatic ring. Its orthogonal halogenation pattern facilitates sequential cross-coupling reactions, while the amine group offers straightforward derivatization. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for iterative synthetic workflows.

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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5-Bromo-2-chloro-4-fluoroaniline

CAS No. 305795-89-5

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