422649

4,5-Dichlorophthalonitrile

99%

• Synonym(s): 1,2-Dichloro-4,5-dicyanobenzene, 4,5-Dichloro-1,2-benzenedicarbonitrile, 4,5-Dichloro-1,2-dicyanobenzene, 4,5-Dichlorobenzene-1,2-dicarbonitrile, 4,5-Dicyano-1,2-dichlorobenzene
• Linear Formula: Cl₂C₆H₂-1,2-(CN)₂
• CAS Number: 139152-08-2
• Molecular Weight: 197.02
• MDL number: MFCD00191408
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866445
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 99%
• mp: 180-184 °C (lit.)
• functional group: chloro; nitrile
• SMILES string: Clc1cc(C#N)c(cc1Cl)C#N
• InChI: 1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
• InChI key: SRIJSZQFAMLVQV-UHFFFAOYSA-N

Description

General description

4,5-Dichlorophthalonitrile (4,5-dichloro-1,2-dicyanobenzene) is a phthalonitrile derivative. It has been synthesized from 4,5-dichloro-1,2-benzenedicarboxamide and characterized by ¹H ,¹³C-NMR and IR.[1] 4,5-dichlorophthalonitrile undergoes base catalyzed nucleophilic aromatic substitution reaction with O-, S- nucleophiles and acidic -CH containing compounds to form corresponding phthalonitrile derivatives, which are the precursors in the synthesis of phthalocyanines.[2][3][4][5]

Application

4,5-Dichlorophthalonitrile is suitable as a reactant in the synthesis of 4,5-bis(3,4-dimethoxyphenyl) phthalonitrile and 4,5-bis(2,6-dimethoxyphenoxy) phthalonitrile.[6] It may be used in the synthesis of 4,5-diphenoxyphthalonitrile.[7]

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: dust mask type N95 (US), Eyeshields, Gloves