CAS 1953-99-7 Tetrachlorophthalonitrile - Materials / Alfa Chemistry

NAVIGATION

Tetrachlorophthalonitrile

PRICE INQUIRY

Catalog Number

ACM1953997-1

CAS Number

1953-99-7

Product Name

Tetrachlorophthalonitrile

Structure

Category

Phthalocyanine Building Blocks

IUPAC Name

3,4,5,6-tetrachlorobenzene-1,2-dicarbonitrile

Molecular Weight

265.9g/mol

Molecular Formula

C8Cl4N2

Canonical SMILES

C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C#N

InChI

InChI=1S/C8Cl4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11

InChI Key

OQHXZZGZASQSOB-UHFFFAOYSA-N

Application

Tetrachlorophthalonitrile serves as a versatile reagent and an important intermediate in organic synthesis. It is particularly useful in nucleophilic aromatic substitution reactions, where, in combination with various phenoxy compounds, it facilitates the preparation of 3,4,6-trihalo-5-p-substituted phenoxyphthalonitrile compounds. These resultant compounds feature four substituents other than hydrogen, showcasing its role in creating complex chemical structures.

Complexity

282

Covalently-Bonded Unit Count

EC Number

217-783-1

Exact Mass

265.878609g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

263.881559g/mol

Rotatable Bond Count