3,5-Difluoro-4-nitrobenzonitrile

Base Information

• Chemical Name: 3,5-Difluoro-4-nitrobenzonitrile
• CAS No.: 1123172-88-2
• Molecular Formula: C7H2F2N2O2
• Molecular Weight: 184.102
• Hs Code.: 2926909090
• Mol file: 1123172-88-2.mol

Synonyms:3,5-Difluoro-4-nitro-benzonitrile;

Chemical Property of 3,5-Difluoro-4-nitrobenzonitrile

Chemical Property:

• Boiling Point: 315.8±42.0 °C(Predicted)
• PSA: 69.61000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 2.26788
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

≥95% ^*data from raw suppliers

3,5-Difluoro-4-nitrobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3,5-Difluoro-4-nitrobenzonitrile is a useful research chemical.

Technology Process of 3,5-Difluoro-4-nitrobenzonitrile

There total 2 articles about 3,5-Difluoro-4-nitrobenzonitrile 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: 82.0%

copper(l) cyanide + 5-bromo-1,3-difluoro-2-nitro-benzene (147808-42-2) → 3,5-difluoro-4-nitro-benzonitrile (1123172-88-2)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; at 160 - 165 ℃; for 6h; Inert atmosphere;

DOI:10.1021/jm300069y

Reference yield:

4-bromo-2,6-difluoroaniline (67567-26-4) → 3,5-difluoro-4-nitro-benzonitrile (1123172-88-2)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium perborate; acetic acid / 21 h / 65 - 70 °C / Inert atmosphere

2: 1-methyl-pyrrolidin-2-one / 6 h / 160 - 165 °C / Inert atmosphere

With 1-methyl-pyrrolidin-2-one; sodium perborate; acetic acid;

DOI:10.1021/jm300069y

Reference yield: 96.0%

methanol (67-56-1) + 3,5-difluoro-4-nitro-benzonitrile (1123172-88-2) → methyl 3,5-difluoro-4-nitrobenzoate (1123172-87-1)

Guidance literature:

With thionyl chloride; at 0 - 25 ℃; Inert atmosphere;

DOI:10.1021/jm300069y

upstream raw materials:

5-bromo-1,3-difluoro-2-nitro-benzene

4-bromo-2,6-difluoroaniline

Downstream raw materials:

methyl 3,5-difluoro-4-nitrobenzoate

(3R,4S,5S)-3-amino-5-(3,5-difluoro-4-nitrobenzyl)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide hydrochloride

(3R,4S,5S)-3-((3-(tert-butyl)benzyl)amino)-5-(3,5-difluoro-4-nitro-benzyl)-4-hydroxytetrahydro-2H-thiopyran 1,1-dioxide

C₂₅H₃₃FN₂O₆S

Refernces