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Merck
CN

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

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About This Item

Linear Formula:
Cl2C6H2-1,2-(CN)2
CAS Number:
139152-08-2
Molecular Weight:
197.02
NACRES:
NA.22
PubChem Substance ID:
24866445
UNSPSC Code:
12352100
MDL number:
MFCD00191408
Assay:
99%

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InChI

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

SMILES string

Clc1cc(C#N)c(cc1Cl)C#N

InChI key

SRIJSZQFAMLVQV-UHFFFAOYSA-N

assay

99%

mp

180-184 °C (lit.)

functional group

chloro, nitrile

Quality Level

100

Related Categories

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. 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.

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. It may be used in the synthesis of 4,5-diphenoxyphthalonitrile.

pictograms

Exclamation mark
GHS07

signalword

Warning

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
WXBF6412V
WXBF5081V
WXBF4660V
WXBF2782V
WXBF4399V

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Sterically demanded unsymmetrical zinc phthalocyanines for dye-sensitized solar cells.
Giribabu L, et al.
Dyes and Pigments, 98(3), 518-529 (2013)
Discotic liquid crystals of transition metal complexes 37*: a thermotropic cubic mesophase having Pn m symmetry exhibited by phthalocyanine-based derivatives.
Ichihara M, et al.
Liq. Cryst., 34(5), 555-567 (2007)
Narendran Rajendran et al.
Environmental research, 182, 109001-109001 (2019-12-17)
A microporous organic polymer (Cz-pyr-P) was prepared from a monomer of pyridine-imides, flanked by four carbazoles, and its application as an adsorbent for both CO2 and methylene blue dye in wastewater was investigated. The polymer was synthesised by oxidative polymerisation
Synthesis of sulfonamide-substituted phthalocyanines.
Carvalho EFA, et al.
Tetrahedron Letters, 50(49), 6882-6885 (2009)
A novel route to 4-chloro-5-alkyl-phthalonitrile and phthalocyanines derived from it.
Dincer, HA, et al.
Journal of Porphyrins and Phthalocyanines, 8(10), 1204-1208 (2004)
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