Methyl 3-bromo-5-chloro-2-hydroxybenzoate

Name: Methyl 3-bromo-5-chloro-2-hydroxybenzoate
Brand: ChemScene
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CAS No. 4068-71-7
Cat. No. CS-0103682
Purity≥98%
MDL No.MFCD06203697

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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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Methyl 3-bromo-5-chloro-2-hydroxybenzoate|CS-0103682

Structure of 4068-71-7

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Description

Methyl 3-bromo-5-chloro-2-hydroxybenzoate features a sterically constrained aromatic core with orthogonal halogen and hydroxyl functionalities. The electron-deficient ring supports efficient cross-coupling, while the bench-stable methyl ester enables direct derivatization. This scaffold integrates readily into bioactive molecule synthesis under standard conditions.

Application

Methyl 3-bromo-5-chloro-2-hydroxybenzoate serves as a versatile building block for the synthesis of functionalized aromatic scaffolds. The molecule combines ortho-hydroxyl and ester functionalities with regioselective halogen substituents, enabling downstream coupling reactions via palladium-catalyzed cross-coupling or nucleophilic substitution. Its bench-stable nature and compatibility with standard protecting group strategies facilitate efficient access to complex heterocycles and bioactive intermediates in medicinal chemistry workflows.

General Information

CAS No. 4068-71-7
Cat. No. CS-0103682
Purity ≥98%
MDL No. MFCD06203697
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrClO₃
Molecular Weight 265.49
Synonym(s) None
SMILES O=C(OC)C1=CC(Cl)=CC(Br)=C1O

Computational Chemistry Data

TPSA 46.53
LogP 2.5947
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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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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 3-bromo-5-chloro-2-hydroxybenzoate

CAS No. 4068-71-7

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