Methyl 3-Bromo-5-chloro-2-methylbenzoate

Name: Methyl 3-Bromo-5-chloro-2-methylbenzoate
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CAS No. 1403597-45-4
Cat. No. CS-0153543
Molecule weight263.52
Purity≥98%
MDL No.MFCD24108598

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Methyl 3-Bromo-5-chloro-2-methylbenzoate|CS-0153543

Structure of 1403597-45-4

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General Information

CAS No. 1403597-45-4
Cat. No. CS-0153543
Purity ≥98%
MDL No. MFCD24108598
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₈BrClO₂
Molecular Weight 263.52
Synonym(s) Benzoic acid, 3-bromo-5-chloro-2-methyl-, methyl ester
SMILES CC1=C(C=C(C=C1Br)Cl)C(=O)OC

Description

Methyl 3-bromo-5-chloro-2-methylbenzoate features a densely functionalized aromatic core with complementary halogen and methyl groups, enabling selective cross-coupling reactions. The bromine site facilitates palladium-catalyzed transformations, while the chloro group offers orthogonal reactivity. This bench-stable ester integrates readily into complex molecular architectures under standard conditions.

Application

Methyl 3-bromo-5-chloro-2-methylbenzoate serves as a versatile ortho-disubstituted aryl building block for palladium-catalyzed cross-coupling reactions. The bromo and chloro substituents enable sequential functionalization, while the methyl ester group offers compatibility with standard reduction and derivatization protocols. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for iterative synthesis of complex heterocycles and pharmaceutical intermediates.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05,GHS07
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-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 26.3
LogP 3.19752
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

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-methylbenzoate

CAS No. 1403597-45-4

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