2-Amino-4-fluorobenzonitrile

Base Information

• Chemical Name: 2-Amino-4-fluorobenzonitrile
• CAS No.: 80517-22-2
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.129
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID80433079
• Nikkaji Number: J2.267.840J
• Wikidata: Q72437162
• Mol file: 80517-22-2.mol

Synonyms:2-Amino-4-fluorobenzonitrile;80517-22-2;C7H5FN2;4-FLUOROANTHRANILONITRILE;Benzonitrile, 2-amino-4-fluoro-;SCHEMBL404482;DTXSID80433079;CBXKVIFVKCNVGJ-UHFFFAOYSA-N;CL8140;MFCD09955451;AKOS005063963;AC-1909;CS-W019217;PS-9113;A9956;AM20050562;FT-0649042;EN300-316948

Chemical Property of 2-Amino-4-fluorobenzonitrile

Chemical Property:

• Vapor Pressure: 0.003mmHg at 25°C
• Melting Point: 102.2 °C (decomp)
• Refractive Index: 1.56
• Boiling Point: 284.672 °C at 760 mmHg
• PKA: 0.80±0.10(Predicted)
• Flash Point: 125.965 °C
• PSA: 49.81000
• Density: 1.256 g/cm³
• LogP: 1.86078
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 136.04367633
• Heavy Atom Count: 10
• Complexity: 160

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-4-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)N)C#N

Technology Process of 2-Amino-4-fluorobenzonitrile

There total 8 articles about 2-Amino-4-fluorobenzonitrile 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: 95.0%

4-fluoro-2-nitrobenzoic acid (394-01-4) + tert-butylamine (75-64-9) → 4-fluoro-2-nitro-tert-butylbenzamide + 2-amino-4-fluorobenzonitrile (80517-22-2)

Guidance literature:

With thionyl chloride; In dichloromethane; toluene;

Reference yield: 86.0%

4-fluoro-2-nitrobenzonitrile (80517-21-1) → 2-amino-4-fluorobenzonitrile (80517-22-2)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield: 39.0%

2,4-difluorobenzonitrile (3939-09-1,103496-86-2) → 2-amino-4-fluorobenzonitrile (80517-22-2) + 4-amino-2-fluorobenzonitrile (53312-80-4)

Guidance literature:

2,4-difluorobenzonitrile; With 3,4,5-trimethoxybenzylamine; at 140 ℃; for 0.666667h;

With trifluoroacetic acid; at 20 ℃;

upstream raw materials:

4-fluoro-2-nitrobenzonitrile

4-fluoroanthranilamide

2,4-difluorobenzonitrile

4-fluoroanthranilic acid

Downstream raw materials:

(2-Amino-4-fluoro-phenyl)-(5-methyl-thiophen-2-yl)-methanone

N-(3-oxo-cyclohexen-1-yl)-2-amino-4-fluorobenzonitrile

(2-Amino-4-fluoro-phenyl)-(5-chloro-thiophen-2-yl)-methanone

(2-Amino-4-fluoro-phenyl)-thiophen-2-yl-methanone