76241-79-7

Basic information

• Product Name: 3-chlorobenzene-1,2-dicarbonitrile
• Synonyms: 3-chlorobenzene-1,2-dicarbonitrile;3-Chlorophthalonitrile
• CAS NO: 76241-79-7
• Molecular Formula: C₈H₃ClN₂
• Molecular Weight: 162.57582
• EINECS: 278-398-2
• Mol File: 76241-79-7.mol
• Article Data: 1

Chemical Properties

• Melting Point: 111-112.6 °C
• Boiling Point: 326.5 °C at 760 mmHg
• Flash Point: 157.9 °C
• Appearance: /
• Density: 1.34 g/cm³
• Vapor Pressure: 0.000215mmHg at 25°C
• Refractive Index: 1.586
• CAS DataBase Reference: 3-chlorobenzene-1,2-dicarbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-chlorobenzene-1,2-dicarbonitrile(76241-79-7)
• EPA Substance Registry System: 3-chlorobenzene-1,2-dicarbonitrile(76241-79-7)

Safety Data

• Hazardous Substances Data: 76241-79-7(Hazardous Substances Data)

Usage

General Description

3-chlorobenzene-1,2-dicarbonitrile is a chemical compound with the molecular formula C8H3ClN2. It is considered an organic compound as it primarily contains carbon atoms. A key structural characteristic is a benzene ring featuring two carbonitrile groups (-CN), which are also known as nitrile groups and one chlorine atom. The chlorine atom is attached to the third carbon atom in the benzene ring, hence the prefix '3-chloro' in its name. The two nitrile groups typically make this compound highly reactive, while the presence of chlorine may make it relatively polar. 3-chlorobenzene-1,2-dicarbonitrile can be classified under the wider class of chlorobenzenes which have many applications in chemical industry, for instance in the synthesis of dyes, drugs, and pesticides. It is important to handle with care due to potential toxicity and reactivity.

InChI:InChI=1/C8H3ClN2/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3H

Upstream product

• 58632-96-5 3-aminophthalonitrile 
• 51762-67-5 3-nitrobenzene-1,2-dicarbonitrile 

Relevant articles and documents

Nonperipheral tetrakis(dibutylamino)phthalocyanines. New types of 1,8,15,22-tetrakis(substituted)phthalocyanine isomers

Cyclic tetramerization of 3-(dibutylamino)phthalonitrile in refluxing n-pentanol in the presence of magnesium pentanoate afforded the four regioisomer-containing nonperipheral 1,8-/11,15-/18,22-/25-tetrakis-(dibutylamino)phthalocyaninato magnesium complexes with the 1,8,15,22-tetrakis(dibutylamino)phthalocyanine isomer Mg{Pc[α-N(C4H9)2]4-C4} (2). This, in combination with its much superior crystallinity over the remaining three isomers, renders the easy isolation of 2 only through two simple recrystallizations from THF and methanol. Treatment of 2 with trifluoroacetic acid induced the isolation of metal-free 1,8,15,22-tetrakis-(dibutylamino)phthalocyanine, H2{Pc[α-N(C4H9)2]4-C4} (1), which further reacted with M(OAc)2·nH2O (M = Ni, Zn) in refluxing n-pentanol, giving the 1,8,15,22-tetrakis(dibutylamino)phthalocyaninato metal complexes M{Pc[α-N(C4H9)2]4-C4} (M = Ni (3), Zn (4)). The full series of four 1,8,15,22-tetrakis(dibutylamino)phthalocyanine isomeric compounds have been characterized by a series of spectroscopic methods and single-crystal X-ray diffraction analyses. Obviously, the present result provides a simple and effective pathway for the synthesis and isolation of novel 1,8,15,22-tetrakis(dibutylamino)-phthalocyanine isomeric derivatives, providing one step forward toward completing bis(alkyl)amino-incorporated phthalocyanine species.