Methyl 4-bromo-5-fluoro-2-hydroxybenzoate

Name: Methyl 4-bromo-5-fluoro-2-hydroxybenzoate
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CAS No. 1193162-25-2
Cat. No. CS-0061825
Purity≥98%
MDL No.MFCD23701539

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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 4-bromo-5-fluoro-2-hydroxybenzoate|CS-0061825

Structure of 1193162-25-2

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Description

Methyl 4-bromo-5-fluoro-2-hydroxybenzoate features a trifunctional aromatic core with orthogonal reactivity: the phenolic hydroxyl enables derivatization, the methyl ester offers a handle for reduction or cross-coupling, and the bromo- and fluoro-substituents provide complementary sites for palladium-catalyzed transformations. This scaffold integrates well into complex molecular architectures requiring precise functional group placement.

Application

Methyl 4-bromo-5-fluoro-2-hydroxybenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the hydroxy and carboxylate positions. Its bromo and fluoro substituents facilitate palladium-catalyzed cross-coupling reactions and modulate electronic properties. The methyl ester group provides stability and compatibility with standard synthetic transformations, while the phenolic hydroxyl allows for derivatization or protection under mild conditions.

General Information

CAS No. 1193162-25-2
Cat. No. CS-0061825
Purity ≥98%
MDL No. MFCD23701539
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆BrFO₃
Molecular Weight 249.03
Synonym(s) Methyl 4-broMo-5-fluoro-2-hydroxy-benzoate
SMILES O=C(OC)C1=CC(F)=C(Br)C=C1O

Computational Chemistry Data

TPSA 46.53
LogP 2.0804
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

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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Other Classifications

Building Blocks Functional Group Fluoride

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-bromo-5-fluoro-2-hydroxybenzoate

CAS No. 1193162-25-2

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