31892-41-8

Basic information

• Product Name: 1H-Benzimidazole-1-carbonitrile(9CI)
• Synonyms: 1H-Benzimidazole-1-carbonitrile(9CI);1-Cyanobenzimidazole;N-Cyanobenzimidazole;1-Cyanobenzimidazole 96%
• CAS NO: 31892-41-8
• Molecular Formula: C₈H₅N₃
• Molecular Weight: 143.15
• Product Categories: BENZIMIDAZOLE
• Mol File: 31892-41-8.mol
• Article Data: 6

Chemical Properties

• Melting Point: 98-106°C
• Boiling Point: 303.6±25.0 °C(Predicted)
• Appearance: /
• Density: 1.22±0.1 g/cm3(Predicted)
• PKA: 0.69±0.10(Predicted)
• CAS DataBase Reference: 1H-Benzimidazole-1-carbonitrile(9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Benzimidazole-1-carbonitrile(9CI)(31892-41-8)
• EPA Substance Registry System: 1H-Benzimidazole-1-carbonitrile(9CI)(31892-41-8)

Safety Data

• Hazard Codes: T
• Statements: 25-37/38-41
• Safety Statements: 26-39-45
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 31892-41-8(Hazardous Substances Data)

Usage

Uses

1-Cyanobenzimidazole can be used:To prepare alkyl benzimidazole-1-carboximidates and 1H-benzimidazole-1-carbohydrazonamide by reacting with aliphatic alcohols and excess of hydrazine, respectively.As an electrophilic cyanating reagent in cyanation reactions including aryl and heteroaryl Grignard reagents.

Upstream product

• 234-77-5 tetrazolo<1,5-c>quinazoline 
• 235-27-8 tetrazolo[1,5-a]quinoxaline 
• 51-17-2 benzoimidazole 
• 506-68-3 bromocyane 

Downstream Products

• 18773-95-0 1-acetylbenzimidazole 
• 62573-86-8 N-benzoylbenzimidazole 
• 874-90-8 4-methoxybenzonitrile 
• 114772-53-1 2-Cyano-4'-methylbiphenyl 
• 157366-46-6 2-(o-Tolyl)benzonitrile 
• 125610-78-8 4'-methoxybiphenyl-2-carbonitrile 
• 66252-14-0 2-(naphthalen-1-yl)benzonitrile 
• 529-19-1 2-Methylbenzonitrile 
• 1197-19-9 4-cyano-N,N-dimethylaniline 
• 104-85-8 para-methylbenzonitrile 
• 108-88-3 toluene 
• 86-53-3 1-Cyanonaphthalene 
• 67886-70-8 2-cyano-6-methoxynaphthalene 
• 2571-52-0 cyanomesitylene 

Relevant articles and documents

Synthesis of 1-cyanobenzimidazole derivatives and their effect on rat erythrocyte resistance

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2-quinoxalinylnitrenes and 4-quinazolinylnitrenes: Rearrangement to cyclic and acyclic carbodiimides and ring-opening to nitrile ylides

This work was undertaken with the aim to obtain direct evidence for the interrelationships between hetarylnitrenes, their ring-expanded cyclic carbodiimide isomers, and ring-opened nitrile ylides. Tetrazolo[1,5-a] quinoxaline 11T and tetrazolo[5.1-c]quina

Quantitative gas-solid reactions with ClCN and BrCN: Synthesis of cyanamides, cyanates, thiocyanates, and their derivatives

Gas-solid reaction techniques allow quantitative cyanations with ClCN and BrCN. Three primary and four secondary cyanamides, a cyanimide, four cyanates, and four thiocyanates were all prepared as solids in 100% yield from solid anilines, benzimidazoles, imides, phenolates, and thiolates, respectively. Intramolecular solid-state reactions of cyanated o-aminophenol and of cyanated hydrazides gave heterocyclic compounds. When comparable reactions were performed in solution the reported product yields were considerably less than 100% in all cases. The reasons for the success of the environmentally benign solid-state syntheses are discussed in terms of phase rebuilding, phase transformation, and crystal disintegration. Atomic force microscopy (AFM) of selected systems indicates the occurrence of long-range molecular movements which are governed by the crystal packing. This is evident from the obvious correlations between the molecular movements and the known crystal packing data. A new type of geometric surface feature, a rectangular and a rhombic depression which resembles a swimming-pool basin, was found in the cyanation of o-aminophenol and benzohydrazide.