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4-Fluoroisophthalonitrile
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CAS No. 13519-90-9
- Cat. No. CS-0157145
- Purity≥98%
- MDL No.MFCD01657003
*For research and further manufacturing use only, not for direct human use.
Structure of 13519-90-9
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General Information
- CAS No. 13519-90-9
- Cat. No. CS-0157145
- Purity ≥98%
- MDL No. MFCD01657003
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₃FN₂
- Molecular Weight None
- Synonym(s) Isophthalonitrile, 4-fluoro- (8CI)
- SMILES C1=CC(=C(C=C1C#N)C#N)F
Description
4-Fluoroisophthalonitrile features a fluorinated aromatic ring with two nitrile groups in a para relationship, enabling robust coupling reactions. The electron-withdrawing fluorine substituent enhances reactivity in nucleophilic substitutions and facilitates integration into advanced heterocycles. This bench-stable compound serves as a key building block for pharmaceutical intermediates and functional materials.
Application
4-Fluoroisophthalonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of fluorinated aromatic scaffolds through palladium-catalyzed cross-coupling and nucleophilic substitution reactions. Its dual nitrile groups and ortho-fluorine substituent provide high functional group tolerance and facilitate downstream derivatization in medicinal chemistry and materials science applications. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis workflows.
Synthesis
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Route1
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In-stock
218301-22-5 - ~%
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In-stock
13519-90-9
References
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US2008/194694 A1, ; Page/Page column 22 ;
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Route2
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4387-30-8 - ~%
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In-stock
13519-90-9
References
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Tetrahedron, , vol. 23, p. 1353 - 1358
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Route3
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95-66-9 - ~%
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In-stock
13519-90-9
References
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Tetrahedron, , vol. 23, p. 1353 - 1358
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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 47.58
- LogP 1.56906
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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