Benzonitrile, 5-aMino-2,3-difluoro-

Base Information

• Chemical Name: Benzonitrile, 5-aMino-2,3-difluoro-
• CAS No.: 1247885-41-1
• Molecular Formula: C7H4F2N2
• Molecular Weight: 154.119
• Hs Code.: 2926907090
• Mol file: 1247885-41-1.mol

Synonyms:Benzonitrile, 5-aMino-2,3-difluoro-;5-AMino-2,3-difluorobenzonitrile;5-amino-3,4-difluorobenzonitrile

Chemical Property of Benzonitrile, 5-aMino-2,3-difluoro-

Chemical Property:

• Boiling Point: 295.6±35.0 °C(Predicted)
• PKA: 1.83±0.10(Predicted)
• PSA: 49.81000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 1.99988
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature

Purity/Quality:

97% purity ^*data from raw suppliers

5-Amino-2,3-difluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 5-aMino-2,3-difluoro-

There total 2 articles about Benzonitrile, 5-aMino-2,3-difluoro- 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: 86.0%

2,3-difluoro-5-nitrobenzonitrile (1247885-40-0) → 5-amino-2,3-difluorobenzonitrile (1247885-41-1)

Guidance literature:

With iron; acetic acid; In acetonitrile; at 20 ℃; for 2h; Inert atmosphere;

Reference yield:

2,3-difluorobenzonitrile (21524-39-0) → 5-amino-2,3-difluorobenzonitrile (1247885-41-1)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuric acid; potassium nitrate / 3 h / 0 °C / Inert atmosphere

2: acetic acid; iron / acetonitrile / 2 h / 20 °C / Inert atmosphere

With sulfuric acid; iron; acetic acid; potassium nitrate; In acetonitrile;

Reference yield: 93.0%

5-amino-2,3-difluorobenzonitrile (1247885-41-1) → 5-bromo-2,3-difluorobenzonitrile (1105665-42-6)

Guidance literature:

With tert.-butylnitrite; copper(I) bromide; In acetonitrile; at 0 - 20 ℃;

upstream raw materials:

2,3-difluoro-5-nitrobenzonitrile

2,3-difluorobenzonitrile

Downstream raw materials:

5-bromo-2,3-difluorobenzonitrile

Refernces

• 1、 -. "COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF". Page/Page column 237. . Retrieved 2010/11/03.