Description

4,5-Dichlorophthalonitrile (CAS No. 139152-08-2) is a high-purity aromatic nitrile compound with the molecular formula C₈H₂Cl₂N₂. This fine chemical, also known by its IUPAC name 4,5-dichlorobenzene-1,2-dicarbonitrile, is a versatile intermediate in organic synthesis and material science applications. The compound features two reactive cyano groups and two chlorine substituents on the benzene ring, making it an excellent precursor for phthalocyanine dyes, agrochemicals, and specialty polymers. Our product is rigorously tested to ensure >98% purity (HPLC) and is supplied as a crystalline solid with excellent shelf stability. Ideal for researchers developing advanced materials, catalysts, or pharmaceutical intermediates.

Properties

• CAS Number: 139152-08-2
• Complexity: 231
• IUPAC Name: 4,5-dichlorophthalonitrile
• InChI: InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2H
• InChI Key: SRIJSZQFAMLVQV-UHFFFAOYSA-N
• Exact Mass: 195.9595035
• Molecular Formula: C8H2Cl2N2
• Molecular Weight: 197.02
• SMILES: C1=C(C(=CC(=C1Cl)Cl)C#N)C#N
• Topological: 47.6
• Monoisotopic Mass: 195.9595035
• Synonyms: 4,5-Dichlorophthalonitrile, 139152-08-2, DTXSID00357485, DTXCID10308544, 627-828-0, 4,5-dichlorobenzene-1,2-dicarbonitrile, 1,2-Dichloro-4,5-dicyanobenzene, 1,2-Benzenedicarbonitrile, 4,5-dichloro-, MFCD00191408, SCHEMBL522162, SCHEMBL5159148, 4,5-Dichlorophthalonitrile, 99%, AKOS003647814, PS-3356, SY050895, 4,5-DICHLORO-2-CYANOPHENYL CYANIDE, DB-030564, CS-0110012, D2189, ST45059353, AK-918/13500067, 1,2-dichloro-4,5-dicyanobenzene;4,5-dichlorobenzene-1,2-dicarbonitrile;, InChI=1/C8H2Cl2N2/c9-7-1-5(3-11)6(4-12)2-8(7)10/h1-2

Application

4,5-Dichlorophthalonitrile serves as a key building block in the synthesis of chlorinated phthalocyanine pigments for dyes and coatings. It is utilized in organic electronics as a precursor for n-type semiconductor materials. The compound also finds use in agrochemical research for developing novel herbicides and fungicides.

Safety and Hazards

GHS Hazard Statements

• H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (95.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (95.1%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.1%)
• Acute Tox. 4 (95.1%)
• Skin Irrit. 2 (97.6%)
• Eye Irrit. 2 (97.6%)
• Acute Tox. 4 (95.1%)
• STOT SE 3 (97.6%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.