Lot numbers can be found on the outside label of a product:
Methyl 2-bromo-4-chlorobenzoate
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CAS No. 57381-62-1
- Cat. No. CS-W018703
- Purity≥96%
- MDL No.MFCD10566822
*For research and further manufacturing use only, not for direct human use.
Structure of 57381-62-1
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General Information
- CAS No. 57381-62-1
- Cat. No. CS-W018703
- Purity ≥96%
- MDL No. MFCD10566822
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrClO₂
- Molecular Weight 249.49
- Synonym(s) 2-Bromo-4-chlorobenzoic Acid Methyl Ester
- SMILES O=C(OC)C1=CC=C(Cl)C=C1Br
Description
Methyl 2-bromo-4-chlorobenzoate is a halogenated aromatic ester featuring strategically positioned bromo and chloro substituents on the benzoate ring. This combination enables selective cross-coupling reactions in transition-metal catalysis, offering enhanced reactivity and regiocontrol. The methyl ester group facilitates downstream transformations, including hydrolysis or nucleophilic substitution. Bench-stable under standard conditions, it serves as a reliable building block for complex molecular architectures in medicinal chemistry and materials science.
Application
Methyl 2-bromo-4-chlorobenzoate serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The bromo group facilitates efficient C–C bond formation under standard Suzuki, Stille, or Negishi conditions, while the chloro and ester functionalities offer orthogonal handles for further functionalization. Its bench-stable nature and ease of purification support reliable use in multi-step syntheses of pharmaceutical intermediates and agrochemical scaffolds.
Synthesis
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Route1
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67-56-1 -
In-stock
936-08-3 - ~98%
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In-stock
57381-62-1
References
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Jin, Haihong; Shi, Zhi-Cai; Tunoori, Ashok; Wang, Ying; Zhang, Chengmin; Devasagayaraj, Arokiasamy Patent: US2008/153852 A1, 2008 ; Location in patent: Page/Page column 19 ;
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Route2
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In-stock
936-08-3
- ~99%
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In-stock
57381-62-1
References
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Liu, Qingyun; Zambrowicz, Brian Patent: US2009/29993 A1, 2009 ; US 20090029993 A1
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Route3
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In-stock
1126-46-1 - ~63%
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In-stock
57381-62-1
References
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Sun, Xiuyun; Shan, Gang; Sun, Yonghui; Rao, Yu Angewandte Chemie - International Edition, 2013 , vol. 52, # 16 p. 4440 - 4444 Angew. Chem., 2013 , vol. 125, # 16 p. 4536 - 4540,5
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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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