Methyl 2-bromo-5-methylbenzoate

Name: Methyl 2-bromo-5-methylbenzoate
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CAS No. 90971-88-3
Cat. No. CS-0046810
Purity≥97%
MDL No.MFCD00144764

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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 2-bromo-5-methylbenzoate|CS-0046810

Structure of 90971-88-3

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Description

Methyl 2-bromo-5-methylbenzoate features a brominated aromatic ring with complementary methyl and ester functionalities, enabling direct coupling in cross-coupling reactions. This bench-stable reagent integrates readily into synthetic sequences requiring electrophilic aryl halide handles, offering predictable reactivity under standard conditions.

Application

Methyl 2-bromo-5-methylbenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its well-established aryl bromide functionality. The methyl ester group provides compatibility with standard hydrolysis and derivatization protocols, while the meta-methyl substituent offers predictable electronic and steric control. This compound exhibits excellent bench stability and facilitates efficient purification, making it ideal for use in the construction of substituted aromatic scaffolds relevant to medicinal chemistry and materials science applications.

General Information

CAS No. 90971-88-3
Cat. No. CS-0046810
Purity ≥97%
MDL No. MFCD00144764
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₉BrO₂
Molecular Weight 229.07
Synonym(s) None
SMILES O=C(C1=CC(C)=CC=C1Br)OC

Computational Chemistry Data

TPSA 26.3
LogP 2.54412
H_Acceptors 2
H_Donors 0
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 Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 2-bromo-5-methylbenzoate

CAS No. 90971-88-3

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