3041-40-5

Basic information

• Product Name: Homophthalonitrile
• Synonyms: NSC 10742;2-Phenylpropanedinitrile;Homophthalonitrile;Phenylmalonitril;Phenylmalononitrile
• CAS NO: 3041-40-5
• Molecular Formula: C₉H₆N₂
• Molecular Weight: 142.16
• Mol File: 3041-40-5.mol
• Article Data: 36

Chemical Properties

• Melting Point: 70.5°C
• Boiling Point: 249.72°C (rough estimate)
• Flash Point: 117.51 °C
• Appearance: /
• Density: 1.1777 (rough estimate)
• Vapor Pressure: 0.0117mmHg at 25°C
• Refractive Index: 1.6211 (estimate)
• CAS DataBase Reference: Homophthalonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: Homophthalonitrile(3041-40-5)
• EPA Substance Registry System: Homophthalonitrile(3041-40-5)

Safety Data

• Hazardous Substances Data: 3041-40-5(Hazardous Substances Data)

Usage

General Description

Homophthalonitrile is an organic compound with the chemical formula C9H6N2. Homophthalonitrile is an aromatic nitrile, part of the group of chemicals that contain a cyano group (-C≡N) attached directly to an aromatic moiety. It is used in various research and industrial processes as chemical intermediates, likely due to its distinct chemical structure that allows reactions at multiple sites. Its potential hazard may include irritation and sensitization of the skin and eyes. As with all chemicals, appropriate safety measures should be taken when handling homophthalonitrile.

InChI:InChI=1/C9H6N2/c10-6-9(7-11)8-4-2-1-3-5-8/h1-5,9H

Upstream product

• 771-84-6 2-Cyano-2-phenylacetic acid amide 
• 18773-77-8 methyl(phenyl)cyanamide 
• 140-29-4 phenylacetonitrile 
• 108-88-3 toluene 
• 506-77-4 cyanogen chloride 
• 10255-95-5 2-phenylmalonamide 
• 2082-66-8 2-chlorobenzylthiocyanate 
• 1122-85-6 phenyl cyanate 
• 99779-66-5 chlorodicyanomethylbenzene 
• 91880-04-5 (1,2,3-trimethylcyclopropenyl)phenylmalononitrile 
• 108-86-1 bromobenzene 
• 109-77-3 malononitrile 
• 591-50-4 iodobenzene 
• 615-42-9 1,2-Diiodobenzene 

Downstream Products

• 603-21-4 1,2,3-triphenyl-propane-1,3-dione-diimine 
• 412323-01-4 3-(dicyano-phenyl-methyl)-glutaric acid diethyl ester 
• 92659-10-4 phenyl-1,3-dithio-malonic acid diamide 
• 109707-86-0 phenyl-malononitrile; sodium-compound 
• 873977-00-5 N,N'-(2-phenylpropane-1,3-diyl)diacetamide 
• 100136-24-1 2-allyl-2-phenylmalononitrile 
• 26739-90-2 Tetramethylformamidinium-Salz des Phenylmalodinitrils 
• 20990-67-4 3-Aethoxy-3--1,2-diphenyl-cyclopropen 
• 26739-88-8 2-ethyl-2-phenylmalononitrile 
• 5247-17-6 Phenyl-tricyanmethan 
• 114379-13-4 2-<4-(2,3,4,5,6,7-Hexachlor-2,4,6-cycloheptatrienyliden)-2,5-cyclohexadienyliden>-1,3-propandinitril 
• 106367-50-4 7-Amino-2-(4-chloro-phenyl)-3-hydroxy-5-imino-6-phenyl-5H-pyrazolo[1,2-a]pyrazol-1-one 
• 106367-49-1 7-Amino-3-hydroxy-5-imino-2-(4-methoxy-phenyl)-6-phenyl-5H-pyrazolo[1,2-a]pyrazol-1-one 
• 6048-20-0 4-nitrobenzoyl cyanide 

Relevant articles and documents

Industrial R&D on catalytic C-C and C-N coupling reactions: A personal account on goals, approaches and results

R&D issues for the application of Pd- and Ni-catalyzed C-C and C-N coupling reactions in the fine chemicals industry are discussed. In a first part, some background is given on industrial R&D and the role of C-C and C-N coupling for preparative applicatio

Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates

Single enantiomer, chiral donor-acceptor metal complexes were synthesized via the self-discriminating zinc(II) complexation of a pseudoracemic mixture of donor/acceptor-substituted bisoxazoline derivatives.

Structure-Activity Relationships of Pyrazolo[1,5- a]pyrimidin-7(4 H)-ones as Antitubercular Agents

Pyrazolo[1,5-a]pyrimidin-7(4H)-one was identified through high-throughput whole-cell screening as a potential antituberculosis lead. The core of this scaffold has been identified several times previously and has been associated with various modes of actio

A one-pot electrophilic cyanation–functionalization strategy for the synthesis of disubstituted malononitriles

Malononitriles are valuable synthetic intermediates for many applications, including the synthesis of herbicides and other biologically active molecules, and the synthesis of chiral ligands for asymmetric catalysis. This article describes the development of a procedure for the conversion of primary nitriles to malononitriles using dimethylmalononitrile, a commercial, non-toxic, carbon-bound source of electrophilic cyanide. This procedure avoids the use of toxic cyanide or malononitrile as a starting material. This protocol is further applied to the dicyanation of benzyl Grignard reagents, generated from benzyl bromides, yielding fully functionalized malononitriles from a nitrile-free precursor.