5-Fluorothiophene-2-carbonitrile

Base Information

• Chemical Name: 5-Fluorothiophene-2-carbonitrile
• CAS No.: 32415-91-1
• Molecular Formula: C5H2FNS
• Molecular Weight: 127.14
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40447531
• Nikkaji Number: J150.876H
• Wikidata: Q72477159
• Mol file: 32415-91-1.mol

Synonyms:5-fluorothiophene-2-carbonitrile;32415-91-1;2-THIOPHENECARBONITRILE,5-FLUORO-;5-CYANO-2-FLUOROTHIOPHENE;SCHEMBL353603;5-Fluoro-2-thiophenecarbonitrile;DTXSID40447531;FJVHOYMXDVKVCS-UHFFFAOYSA-N;MFCD11042555;STL583999;AKOS006309148;PB20534;5-FLUORO-THIOPHENE-2-CARBONITRILE;AS-33766;CS-0050472;FT-0758779;EN300-232910;A875626

Chemical Property of 5-Fluorothiophene-2-carbonitrile

Chemical Property:

• Boiling Point: 189.4±20.0 °C(Predicted)
• PSA: 52.03000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 1.75888
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 126.98919840
• Heavy Atom Count: 8
• Complexity: 128

Purity/Quality:

97% ^*data from raw suppliers

5-Fluorothiophene-2-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1)F)C#N

Technology Process of 5-Fluorothiophene-2-carbonitrile

There total 3 articles about 5-Fluorothiophene-2-carbonitrile 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: 76.0%

5-nitro-2-thienyl cyanide (16689-02-4) → 5-fluorothiophene-2-carbonitrile (32415-91-1)

Guidance literature:

With potassium fluoride; tetraphenylphosphonium bromide; Phthaloyl dichloride; In sulfolane; at 180 ℃; for 2h;

DOI:10.1080/00397910008087280

Reference yield:

5-nitro-2-thienyl cyanide (16689-02-4) + tetraphenylphosphonium bromide (2751-90-8) + Phthaloyl dichloride (88-95-9) → 5-fluorothiophene-2-carbonitrile (32415-91-1)

Guidance literature:

With potassium fluoride; In sulfolane;

Reference yield:

→ 5-fluorothiophene-2-carbonitrile (32415-91-1)

Guidance literature:

2-Fluor-thiophen-5-aldoxim, Ac2O;

upstream raw materials:

5-nitro-2-thienyl cyanide

tetraphenylphosphonium bromide

Phthaloyl dichloride

Downstream raw materials:

5-(4-formylphenoxy)thiophene-2-carbonitrile

5-fluorothiophene-2-carboxylic acid

(5-fluorothiophen-2-yl)formyl chloride