Lot numbers can be found on the outside label of a product:
Methyl 4-fluoro-2-nitrobenzoate
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CAS No. 151504-81-3
- Cat. No. CS-0061808
- Purity≥98%
- MDL No.MFCD09800921
*For research and further manufacturing use only, not for direct human use.
Structure of 151504-81-3
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General Information
- CAS No. 151504-81-3
- Cat. No. CS-0061808
- Purity ≥98%
- MDL No. MFCD09800921
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆FNO₄
- Molecular Weight None
- Synonym(s) 4-fluoro-2-nitro-benzoic acid methyl ester
- SMILES COC(=O)C1=C(C=C(C=C1)F)[N+](=O)[O-]
Description
Methyl 4-fluoro-2-nitrobenzoate features a fluorine atom at the para position and a nitro group at the ortho position relative to the ester, creating a strongly electron-deficient aromatic system. This combination enhances reactivity in nucleophilic aromatic substitution and enables direct functionalization under mild conditions. The compound exhibits excellent stability under standard bench protocols and serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals.
Application
Methyl 4-fluoro-2-nitrobenzoate serves as a versatile building block in medicinal chemistry, enabling regioselective functionalization via the orthogonal reactivity of fluorine and nitro groups. Its stability under standard synthetic conditions facilitates downstream transformations such as nucleophilic aromatic substitution, reduction to amino derivatives, and coupling reactions. The ester functionality supports further derivatization, making it valuable for constructing heterocyclic scaffolds and API intermediates in drug discovery workflows.
Synthesis
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Route1
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67-56-1 -
In-stock
394-01-4 - ~90%
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In-stock
151504-81-3
References
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F. HOFFMANN-LA ROCHE AG Patent: WO2004/54985 A1, 2004 ; Location in patent: Page 17; 9 ;
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Route2
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In-stock
394-01-4
- ~%
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In-stock
151504-81-3
References
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US6262112 B1, ;
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Route3
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18959-17-6 - ~66%
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In-stock
392-09-6 -
In-stock
151504-81-3
References
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Journal of the Chemical Society, Chemical Communications, , # 11 p. 921 - 922
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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 : H315-H319-H335
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Precautionary Statements : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 69.44
- LogP 1.5205
- H_Acceptors 4
- H_Donors 0
- Rotatable_Bonds 2
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Key Words
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