BENZONITRILE, 3-FLUORO-2-NITRO-

Base Information

• Chemical Name: BENZONITRILE, 3-FLUORO-2-NITRO-
• CAS No.: 1000339-52-5
• Molecular Formula: C7H3FN2O2
• Molecular Weight: 166.111
• Hs Code.: 2926909090
• Mol file: 1000339-52-5.mol

Synonyms:BENZONITRILE, 3-FLUORO-2-NITRO-;2-Cyano-6-fluoronitrobenzene;

Chemical Property of BENZONITRILE, 3-FLUORO-2-NITRO-

Chemical Property:

• Boiling Point: 312.7±27.0 °C(Predicted)
• PSA: 69.61000
• Density: 1.41±0.1 g/cm3 (20 oC 760 Torr)
• LogP: 2.12878
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99% ^*data from raw suppliers

3-Fluoro-2-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Use Description: Benzonitrile, 3-fluoro-2-nitro-, a specific chemical compound, serves distinct functions across various fields. In the pharmaceutical sector, it can function as a key intermediate in the synthesis of pharmaceutical compounds, contributing to drug development and the creation of molecules with potential therapeutic applications. In organic chemistry, this compound acts as a versatile building block, enabling the construction of complex molecular structures and supporting advancements in chemical research. Additionally, in the field of agrochemicals, it may contribute to the formulation of pesticides, aiding in pest management and crop protection. The compound's versatile applications in pharmaceuticals, chemistry, and agriculture underscore its significance in driving innovation, scientific exploration, and practical solutions across these vital domains.

Technology Process of BENZONITRILE, 3-FLUORO-2-NITRO-

There total 1 articles about BENZONITRILE, 3-FLUORO-2-NITRO- 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: 81.0%

copper(l) cyanide + 2?bromo?6?fluoronitrobenzene (886762-70-5) → 3-fluoro-2-nitrobenzonitrile (1000339-52-5)

Guidance literature:

In N,N-dimethyl-formamide; for 1h; Reflux; Inert atmosphere;

DOI:10.1021/ml200143c

Reference yield: 91.0%

3-fluoro-2-nitrobenzonitrile (1000339-52-5) + 1-t-Butoxycarbonylpiperazine (57260-71-6) → tert-butyl 4-(3-cyano-2-nitrophenyl)piperazine-1-carboxylate

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 160 ℃; for 5h;

DOI:10.1016/j.bmc.2018.04.037

Reference yield: 87.0%

3-fluoro-2-nitrobenzonitrile (1000339-52-5) + 5-chloro-6-fluoro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazol-4-ol → 3-{[5-chloro-6-fluoro-1-(oxan-2-yl)-1H-indazol-4-yl]oxy}-2-nitrobenzonitrile

Guidance literature:

With potassium carbonate; In N,N-dimethyl acetamide; at 100 ℃; for 1h; Inert atmosphere;

upstream raw materials:

2?bromo?6?fluoronitrobenzene

Downstream raw materials:

methyl 5-(3-cyano-2-nitrophenylamino)thiophene-2-carboxylate

Refernces