Lot numbers can be found on the outside label of a product:
Methyl 2-bromo-5-chlorobenzoate
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CAS No. 27007-53-0
- Cat. No. CS-W007971
- Purity≥98%
- MDL No.MFCD00144763
*For research and further manufacturing use only, not for direct human use.
Structure of 27007-53-0
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General Information
- CAS No. 27007-53-0
- Cat. No. CS-W007971
- Purity ≥98%
- MDL No. MFCD00144763
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrClO₂
- Molecular Weight None
- Synonym(s) 2-Bromo-5-chlorobenzoic Acid Methyl Ester
- SMILES COC(=O)C1=C(Br)C=CC(Cl)=C1
Description
Methyl 2-bromo-5-chlorobenzoate is a bench-stable, electron-deficient aromatic ester featuring orthogonal halogen handles. This dual-functionalized scaffold enables direct coupling in cross-coupling reactions and serves as a key intermediate in synthetic routes to bioactive molecules and functional materials.
Application
Methyl 2-bromo-5-chlorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogenation pattern. The bromo and chloro substituents offer orthogonal reactivity for sequential functionalization, while the ester group facilitates downstream transformations. This compound exhibits excellent bench stability, ease of purification, and compatibility with standard reaction conditions, making it well-suited for the construction of complex heterocyclic scaffolds and pharmaceutical intermediates.
Synthesis
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Route1
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In-stock
21739-93-5 - ~94%
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In-stock
27007-53-0
References
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Merck and Co., Inc. Patent: US6528503 B2, 2003 ;
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Route2
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67-56-1 -
In-stock
21739-93-5
- ~%
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In-stock
27007-53-0
References
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ROTTAPHARM SPA; STASI, Luigi Piero; ROVATI, Lucio Claudio; ARTUSI, Roberto; COLACE, Fabrizio; MANDELLI, Stefano; PERUGINI, Lorenzo Patent: WO2013/92893 A1, 2013 ; Location in patent: Page/Page column 34; 35 ;
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Route3
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79-37-8
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In-stock
21739-93-5
- ~81%
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In-stock
27007-53-0
References
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Cell Therapeutics, Inc. Patent: US2003/153570 A1, 2003 ;
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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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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Quality Control
Computational Chemistry Data
- TPSA 26.3
- LogP 2.8891
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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