1-Cyanobenzimidazole - ≥96% , CAS No.31892-41-8

CAS: 31892-41-8 Cat. No.: C468129 Molecular Weight: 143.15 EC Number: 663-581-5

GRADE & PURITY ≥96%

Synonyms

SCHEMBL626716 | 1H-1,3-benzodiazole-1-carbonitrile | DTXSID70578044 | benzimidazole-1-carbonitrile | EN300-7697992 | 1-Cyanobenzimidazole | 1H-BENZIMIDAZOLE-1-CARBONITRILE | 1H-Benzo[d]imidazole-1-carbonitrile | N-Cyanobenzimidazole

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application        

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.

Reacant for:

Electrophilic aromatic substitution reactions

Electrophilic cyanation of aryl and heteroaryl Grignard reagents

Hydrolysis in alkalyne solutions

Specifications

Synonyms

SCHEMBL626716 | 1H-1, 3-benzodiazole-1-carbonitrile | DTXSID70578044 | benzimidazole-1-carbonitrile | EN300-7697992 | 1-Cyanobenzimidazole | 1H-BENZIMIDAZOLE-1-CARBONITRILE | 1H-Benzo[d]imidazole-1-carbonitrile | N-Cyanobenzimidazole

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)N=CN2C#N
• IUPAC Name: benzimidazole-1-carbonitrile
• InChIKey: SGCJHVTWXFWDOD-UHFFFAOYSA-N
• INCHI: 1S/C8H5N3/c9-5-11-6-10-7-3-1-2-4-8(7)11/h1-4,6H
• Isomeric SMILES: C1=CC=C2C(=C1)N=CN2C#N
• WGK Germany: 3
• Molecular Weight: 143.15
• Reaxy-Rn: 908487
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=908487&ln=

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 98-106 °C
• Molecular Weight: 143.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.048 Da
• Monoisotopic Mass: 143.048 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 193.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1