Lot numbers can be found on the outside label of a product:
Methyl 4-bromo-2-fluorobenzoate
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CAS No. 179232-29-2
- Cat. No. CS-W003269
- Purity≥98%
- MDL No.MFCD06203731
*For research and further manufacturing use only, not for direct human use.
Structure of 179232-29-2
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General Information
- CAS No. 179232-29-2
- Cat. No. CS-W003269
- Purity ≥98%
- MDL No. MFCD06203731
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆BrFO₂
- Molecular Weight 233.03
- Synonym(s) 4-Bromo-2-fluorobenzoic Acid Methyl Ester
- SMILES COC(C1=C(F)C=C(Br)C=C1)=O
Description
Methyl 4-bromo-2-fluorobenzoate features a strategically positioned bromo and fluoro substituent on the aromatic ring, enabling selective coupling reactions in cross-coupling protocols. This electron-deficient ester integrates readily into complex molecular architectures under standard conditions.
Application
Methyl 4-bromo-2-fluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogenation pattern. The ortho-fluoro and para-bromo substituents provide orthogonal reactivity for sequential functionalization, while the methyl ester group offers stability and straightforward derivatization. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for constructing complex heterocyclic scaffolds and API intermediates.
Synthesis
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Route1
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In-stock
112704-79-7 -
74-88-4 - ~98%
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In-stock
179232-29-2
References
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NISSAN CHEMICAL INDUSTRIES, LTD. Patent: WO2004/108683 A1, 2004 ; Location in patent: Page 557 ;
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Route2
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67-56-1
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In-stock
112704-79-7
- ~97%
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In-stock
179232-29-2
References
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GALDERMA RESEARCH and DEVELOPMENT,S.N.C. Patent: WO2004/46096 A2, 2004 ; Location in patent: Page 38 ;
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Route3
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In-stock
112704-79-7
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18107-18-1
- ~99%
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In-stock
179232-29-2
References
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EXELIXIS, INC. Patent: WO2009/55077 A1, 2009 ; Location in patent: Page/Page column 447 ;
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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 2.3748
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 1
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Key Words
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