6-Chloro-5-(trifluoromethyl)nicotinonitrile

Base Information

• Chemical Name: 6-Chloro-5-(trifluoromethyl)nicotinonitrile
• CAS No.: 1245915-29-0
• Molecular Formula: C9H11BrClNO2
• Molecular Weight: 206.55
• DSSTox Substance ID: DTXSID401225473
• Mol file: 1245915-29-0.mol

Synonyms:6-Chloro-5-(trifluoromethyl)nicotinonitrile;1245915-29-0;6-chloro-5-(trifluoromethyl)pyridine-3-carbonitrile;3-Pyridinecarbonitrile, 6-chloro-5-(trifluoromethyl)-;SCHEMBL16648624;QEQPZFWFBSRJNA-UHFFFAOYSA-N;DTXSID401225473;AMY17469;AS-69236;CS-0377348;D92845;A903656;6-Chloro-5-(trifluoromethyl)-3-pyridinecarbonitrile

Chemical Property of 6-Chloro-5-(trifluoromethyl)nicotinonitrile

Chemical Property:

• Boiling Point: 244.6±35.0 °C(Predicted)
• PKA: -5.38±0.10(Predicted)
• PSA: 52.32000
• Density: 1.51±0.1 g/cm3(Predicted)
• LogP: 3.12420
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 205.9858603
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

6-Chloro-5-(trifluoromethyl)nicotinonitrile 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=NC(=C1C(F)(F)F)Cl)C#N

Technology Process of 6-Chloro-5-(trifluoromethyl)nicotinonitrile

There total 1 articles about 6-Chloro-5-(trifluoromethyl)nicotinonitrile 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: 7.0%

5-(trifluoromethyl)pyridine-3-carbonitrile (951624-83-2) → 6-chloro-5-(trifluoromethyl)pyridine-3-carbonitrile (1245915-29-0)

Guidance literature:

5-(trifluoromethyl)pyridine-3-carbonitrile; With sodium thiosulfate; urea hydrogen peroxide adduct; trifluoroacetic anhydride; In dichloromethane; water;

at 70 ℃; for 4h;

upstream raw materials:

5-(trifluoromethyl)pyridine-3-carbonitrile

Refernces

• 1、 -. "PIPERIDINYL PYRAZOLO-PYRIDINE DERIVATIVE CRYSTAL". Paragraph 0765 - 0767. . Retrieved 2016/10/10.