CAS 139152-08-2 4,5-Dichlorophthalonitrile - Materials / Alfa Chemistry

NAVIGATION

4,5-Dichlorophthalonitrile

PRICE INQUIRY

Catalog Number

ACM139152082-2

CAS Number

139152-08-2

Product Name

4,5-Dichlorophthalonitrile

Structure

Category

Phthalonitriles & Naphthalonitriles; Phthalocyanine Building Blocks

Synonyms

4,5-Dichlorobenzene-1,2-Dicarbonitrile; 1,2-Dichloro-4,5-Dicyanobenzene

IUPAC Name

4,5-dichlorobenzene-1,2-dicarbonitrile

Molecular Weight

197.02

Molecular Formula

C8H2Cl2N2

Canonical SMILES

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

InChI

InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H

InChI Key

SRIJSZQFAMLVQV-UHFFFAOYSA-N

Melting Point

180-184 °C-lit.

Purity

95%

Appearance

Off-white powder

Application

45-Dichlorophthalonitrile is primarily used as a versatile reactant in the synthesis of various phthalonitrile derivatives such as 45-bis(34-dimethoxyphenyl) phthalonitrile and 45-bis(26-dimethoxyphenoxy) phthalonitrile and can also be employed in creating 45-diphenoxyphthalonitrile As a phthalonitrile derivative synthesized from 45-dichloro-12-benzenedicarboxamide it is characterized through advanced techniques like 1H 13C-NMR and IR spectroscopy This compound is particularly valuable because it undergoes base-catalyzed nucleophilic aromatic substitution with O- S- nucleophiles and acidic CH-containing compounds resulting in the formation of phthalonitrile derivatives These derivatives serve as essential precursors in the preparation of phthalocyanines which are significant for various industrial applications

Complexity

231

Covalently-Bonded Unit Count

Exact Mass

195.959504g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

195.959504g/mol

Rotatable Bond Count

XLogP3

2.6