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1,2,4,5-Tetracyanobenzene

Catalog Number
ACM712743-1
CAS Number
712-74-3
Product Name
1,2,4,5-Tetracyanobenzene
Structure
Category
Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks
Synonyms
1,2,4,5-Benzenetetracarbonitrile, Pyromellitic acid tetranitrile
IUPAC Name
benzene-1,2,4,5-tetracarbonitrile
Molecular Weight
178.15
Molecular Formula
C10H2N4
Canonical SMILES
C1=C(C(=CC(=C1C#N)C#N)C#N)C#N
InChI
InChI=1S/C10H2N4/c11-3-7-1-8(4-12)10(6-14)2-9(7)5-13/h1-2H
InChI Key
FAAXSAZENACQBT-UHFFFAOYSA-N
Melting Point
265-268 °C-lit.
Purity
98%
Appearance
White solid powder
Application
1,2,4,5-Tetracyanobenzene serves as a versatile reagent that plays a crucial role in various chemical syntheses and applications. It is utilized in forming o-3,4-dimethyltetrathiafulvalene-tetracyanobenzene complexes and generating radiative exciplexes in non-polar solvents, making it valuable for advanced chemical research. Additionally, it is instrumental in the solid-state diffusion process within 9-methylanthracene molecular crystal nanorods to create cocrystal nanorods. This compound is also essential for synthesizing copper polyphthalocyanine thin films, contributing to the development of elementoorganic semiconductors. Its application extends to the preparation of charge transfer nanocrystallites, offering potential in nanofluidics for studying the rotational motion of nanoobjects, and it is involved in the hydrothermal synthesis of Co2(terpy)2(btec)·H2O complexes.
Complexity
332
Covalently-Bonded Unit Count
1
Exact Mass
178.027946g/mol
Formal Charge
0
Heavy Atom Count
14
MeSH Entry Terms
1,2,4,5-tetracyanobenzene;p-dicyanobenzene;tetracyanobenzene
Monoisotopic Mass
178.027946g/mol
Rotatable Bond Count
0
XLogP3
0.8
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