4-(Cyanomethyl)benzamide

Base Information

• Chemical Name: 4-(Cyanomethyl)benzamide
• CAS No.: 114365-07-0
• Molecular Formula: C9H8 N2 O
• Molecular Weight: 160.175
• DSSTox Substance ID: DTXSID70585410
• Wikidata: Q82477371
• Mol file: 114365-07-0.mol

Synonyms:4-(cyanomethyl)benzamide;114365-07-0;Benzamide, 4-(cyanomethyl)- (9CI);Benzamide, 4-(cyanomethyl)-;SCHEMBL1032852;DTXSID70585410;AKOS009103767;CS-0243103;EN300-25904;G24755;Z219997172

Chemical Property of 4-(Cyanomethyl)benzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.579
• Boiling Point: 370.56°C at 760 mmHg
• PKA: 15.80±0.50(Predicted)
• Flash Point: 177.908°C
• Density: 1.192g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 160.063662883
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

98%Min ^*data from raw suppliers

4-(CYANOMETHYL)BENZAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC#N)C(=O)N

Technology Process of 4-(Cyanomethyl)benzamide

There total 2 articles about 4-(Cyanomethyl)benzamide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 77.0%

4-(cyanomethyl)benzonitrile (876-31-3) → 4-(cyanomethyl)benzamide (114365-07-0)

Guidance literature:

With water extract of pomelo, peel; at 150 ℃; for 0.5h; Sealed tube; Green chemistry;

DOI:10.3390/molecules24213838

Reference yield:

potassium cyanide (151-50-8) → 4-(cyanomethyl)benzamide (114365-07-0)

Guidance literature:

With ethanol;

upstream raw materials:

potassium cyanide

4-(cyanomethyl)benzonitrile