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

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

Uses

Used in Chemical Industry:
3-chlorobenzene-1,2-dicarbonitrile is used as an intermediate in the synthesis of various chemical products for its reactivity and polarity. It plays a crucial role in the production of dyes, drugs, and pesticides, contributing to the development of these industries.
Used in Pharmaceutical Industry:
3-chlorobenzene-1,2-dicarbonitrile is used as a building block in the synthesis of pharmaceutical compounds. Its reactivity allows for the creation of new drug molecules with potential therapeutic applications.
Used in Pesticide Industry:
3-chlorobenzene-1,2-dicarbonitrile is used as a key component in the formulation of pesticides. Its chemical properties enable the development of effective pest control agents that can be used in agriculture and other settings.
Used in Dye Industry:
3-chlorobenzene-1,2-dicarbonitrile is used as a precursor in the production of dyes. Its chemical structure allows for the creation of a wide range of colors and properties, making it a valuable resource in the dye industry.

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.