2,4,6-Trichloronicotinonitrile

Base Information

• Chemical Name: 2,4,6-Trichloronicotinonitrile
• CAS No.: 40381-91-7
• Molecular Formula: C6HCl3N2
• Molecular Weight: 207.4445
• Hs Code.: 2933399090
• European Community (EC) Number: 817-390-0
• DSSTox Substance ID: DTXSID50193375
• Wikidata: Q83066103
• Mol file: 40381-91-7.mol

Synonyms:2,4,6-Trichloronicotinonitrile;40381-91-7;2,4,6-trichloropyridine-3-carbonitrile;3-Pyridinecarbonitrile, 2,4,6-trichloro-;C6HCl3N2;C6-H-Cl3-N2;DTXSID50193375;MFCD19707185;AKOS016009909;AT20026;AS-77311;CS-0146753;EN300-98837

Chemical Property of 2,4,6-Trichloronicotinonitrile

Chemical Property:

• Vapor Pressure: 0.000369mmHg at 25°C
• Boiling Point: 318.1°Cat760mmHg
• Flash Point: 146.2°C
• PSA: 36.68000
• Density: 1.63g/cm³
• LogP: 2.91348
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 205.920531
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

99%min ^*data from raw suppliers

2,4,6-Trichloronicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=C(N=C1Cl)Cl)C#N)Cl
• Uses: 2,4,6-Trichloronicotinonitrile, is a building block used in chemical synthesis and polymerization of cyanoacetyl chloride.

Technology Process of 2,4,6-Trichloronicotinonitrile

There total 3 articles about 2,4,6-Trichloronicotinonitrile 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:

→ 2,4,6-trichloropyridine-3-carbonitrile (40381-91-7)

Guidance literature:

With phosphorus pentachloride; at 120 - 130 ℃;

Reference yield:

6-chloro-2,4-dihydroxy-nicotinonitrile (19867-18-6) → 4,6-dichloro-2-hydroxy-nicotinonitrile + 2,4,6-trichloropyridine-3-carbonitrile (40381-91-7)

Guidance literature:

With phosphorus pentachloride; at 150 ℃;

Reference yield:

→ 2,4,6-trichloropyridine-3-carbonitrile (40381-91-7)

Guidance literature:

2,4,6-Trihydroxy-nicotinsaeurenitril, POCl3;

upstream raw materials:

6-chloro-2,4-dihydroxy-nicotinonitrile

Refernces