Lot numbers can be found on the outside label of a product:
2-Methylterephthalonitrile
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CAS No. 55984-93-5
- Cat. No. CS-W004994
- Purity≥98%
- MDL No.MFCD00119249
*For research and further manufacturing use only, not for direct human use.
Structure of 55984-93-5
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General Information
- CAS No. 55984-93-5
- Cat. No. CS-W004994
- Purity ≥98%
- MDL No. MFCD00119249
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₉H₆N₂
- Molecular Weight 142.16
- Synonym(s) METHYLTEREPHTHALONITRILE 98
- SMILES N#CC1=CC=C(C#N)C=C1C
Description
2-Methylterephthalonitrile features two nitrile groups positioned para to each other on a benzene ring, with a methyl substituent at the ortho position relative to one nitrile. This electron-deficient aromatic scaffold enables efficient coupling in transition metal-catalyzed reactions and serves as a robust building block for conjugated polymers and functionalized organic materials.
Application
2-Methylterephthalonitrile serves as a key building block in the synthesis of functionalized aromatic systems, enabling efficient access to substituted benzene scaffolds via nitrile transformations. Its dual nitrile groups and methyl substituent provide orthogonal reactivity for selective functionalization, while offering bench stability and compatibility with standard coupling and reduction protocols. This compound facilitates the construction of advanced intermediates for pharmaceuticals, agrochemicals, and specialty materials.
Synthesis
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Route1
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In-stock
615-59-8 - ~95%
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In-stock
55984-93-5
References
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Grossman, Olga; Gelman, Dmitri Organic Letters, 2006 , vol. 8, # 6 p. 1189 - 1191
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Route2
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In-stock
623-26-7 -
74-88-4 - ~85%
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In-stock
55984-93-5
References
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Suzuki, Masanori; Ikeno, Taketo; Osoda, Kazuhiko; Narasaka, Koichi; Suenobu, Tomoyoshi; Fukuzumi, Shunichi; Ishida, Akito Bulletin of the Chemical Society of Japan, 1997 , vol. 70, # 9 p. 2269 - 2277
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Route3
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19398-61-9
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544-92-3
- ~77%
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In-stock
55984-93-5
References
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Anzalone, Luigi; Hirsch, Jerry A. Journal of Organic Chemistry, 1985 , vol. 50, # 12 p. 2128 - 2133
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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 : P261-P264-P271-P280-P302+P352-P304+P340-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 47.58
- LogP 1.73838
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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