1,4-Benzenedicarbonitrile, 2,5-difluoro-

Base Information

• Chemical Name: 1,4-Benzenedicarbonitrile, 2,5-difluoro-
• CAS No.: 1897-49-0
• Molecular Formula: C8H2F2N2
• Molecular Weight: 164.1117
• DSSTox Substance ID: DTXSID50172387
• Nikkaji Number: J54.877D
• Wikidata: Q83042484
• ChEMBL ID: CHEMBL3248228
• Mol file: 1897-49-0.mol

Synonyms:1897-49-0;2,5-Difluoroterephthalonitrile;2,5-difluorobenzene-1,4-dicarbonitrile;1,4-Benzenedicarbonitrile, 2,5-difluoro-;2,5-Difluoro-1,4-benzenedicarbonitrile;C8H2F2N2;SCHEMBL6651303;YSCH0100;2,5-difluorotereph-thalonitrile;CHEMBL3248228;DTXSID50172387;LS-29685;EN300-7926671;Z1551954575

Chemical Property of 1,4-Benzenedicarbonitrile, 2,5-difluoro-

Chemical Property:

• Vapor Pressure: 0.00661mmHg at 25°C
• Melting Point: 155-158 °C
• Boiling Point: 271°Cat760mmHg
• Flash Point: 117.7°C
• PSA: 47.58000
• Density: 1.37g/cm³
• LogP: 1.70816
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 164.01860440
• Heavy Atom Count: 12
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1,4-Benzenedicarbonitrile, 2,5-difluoro-

There total 1 articles about 1,4-Benzenedicarbonitrile, 2,5-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: 64.0%

1,4-dibromo-2,5-difluorobenzene (327-51-5) + copper(l) cyanide → 2,5-difluoro-1,4-dicyanobenzene (1897-49-0)

Guidance literature:

In N,N-dimethyl-formamide; for 16h; Inert atmosphere; Reflux;

Reference yield: 92.0%

2,5-difluoro-1,4-dicyanobenzene (1897-49-0) → 2,5-difluoro-1,4-benzenedicarboxylic acid (655-14-1)

Guidance literature:

With phosphoric acid; at 160 ℃; for 24h;

Reference yield: 66.0%

2,5-difluoro-1,4-dicyanobenzene (1897-49-0) + 3,6-di-(4-dodecyloxyphenyl)-9H-carbazole → C104H130N4O4

Guidance literature:

3,6-di-(4-dodecyloxyphenyl)-9H-carbazole; With sodium hydride; In hexane; N,N-dimethyl-formamide; mineral oil; at 70 ℃; for 2h;

2,5-difluoro-1,4-dicyanobenzene; In hexane; N,N-dimethyl-formamide; mineral oil; at 75 ℃; for 4h;

DOI:10.1039/d1tc00443c

upstream raw materials:

1,4-dibromo-2,5-difluorobenzene

Downstream raw materials:

2,5-difluoro-1,4-benzenedicarboxylic acid