5-Bromo-4-chloro-2-fluoroaniline

Name: 5-Bromo-4-chloro-2-fluoroaniline
Brand: ChemScene
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CAS No. 111010-07-2
Cat. No. CS-0137324
Purity≥97%
MDL No.MFCD00274773

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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-4-chloro-2-fluoroaniline|CS-0137324

Structure of 111010-07-2

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General Information

CAS No. 111010-07-2
Cat. No. CS-0137324
Purity ≥97%
MDL No. MFCD00274773
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₄BrClFN
Molecular Weight 224.46
Synonym(s) Benzenamine,5-bromo-4-chloro-2-fluoro
SMILES NC1=CC(Br)=C(Cl)C=C1F

Description

5-Bromo-4-chloro-2-fluoroaniline features a trihalogenated aromatic core with strategic substitution patterns enabling precise functionalization in pharmaceutical and agrochemical synthesis. The ortho-fluoro and para-bromo groups enhance electrophilic reactivity, while the meta-chloro moiety provides steric control. This compound serves as a key building block for bioactive heterocycles and advanced intermediates requiring halogen-directed coupling.

Application

5-Bromo-4-chloro-2-fluoroaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct substitution at the amino group or halogenation at the aromatic ring. Its orthogonal halogen reactivity profile facilitates sequential cross-coupling reactions, while the molecule’s bench stability and ease of purification support scalable process development.

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-4-chloro-2-fluoroaniline

CAS No. 111010-07-2

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