Methyl 4-amino-5-bromo-2-chlorobenzoate

Name: Methyl 4-amino-5-bromo-2-chlorobenzoate
Brand: ChemScene
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CAS No. 868406-71-7
Cat. No. CS-0145062
Purity≥98%
MDL No.None

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Excepted Quantity	$0.00
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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Methyl 4-amino-5-bromo-2-chlorobenzoate|CS-0145062

Structure of 868406-71-7

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Description

Methyl 4-amino-5-bromo-2-chlorobenzoate features a trifunctional aromatic core with amino, bromo, and chloro substituents enabling diverse downstream transformations. This electron-rich scaffold supports efficient coupling reactions and serves as a key intermediate in medicinal chemistry for constructing bioactive heterocycles under standard conditions.

Application

Methyl 4-amino-5-bromo-2-chlorobenzoate serves as a versatile building block for the synthesis of bioactive heterocycles and pharmaceutical intermediates. The molecule features orthogonal functional groups—amine, bromo, chloro, and ester—that enable sequential transformations via cross-coupling, electrophilic substitution, or amidation. Its bench-stable nature and compatibility with standard reaction conditions facilitate efficient downstream derivatization in medicinal chemistry campaigns.

General Information

CAS No. 868406-71-7
Cat. No. CS-0145062
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇BrClNO₂
Molecular Weight 264.50
Synonym(s) Benzoic acid, 4-amino-5-bromo-2-chloro-, methyl ester
SMILES O=C(OC)C1=CC(Br)=C(N)C=C1Cl

Computational Chemistry Data

TPSA 52.32
LogP 2.4713
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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-P280-P302+P352

Quality Control

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-amino-5-bromo-2-chlorobenzoate

CAS No. 868406-71-7

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