2,5-Dichloroisonicotinonitrile

Base Information

• Chemical Name: 2,5-Dichloroisonicotinonitrile
• CAS No.: 102645-35-2
• Molecular Formula: C₆H₂Cl₂N₂
• Molecular Weight: 173.001
• Hs Code.: 2933399090
• European Community (EC) Number: 867-450-5
• DSSTox Substance ID: DTXSID40543860
• Nikkaji Number: J2.055.194A
• Wikidata: Q82420820
• Mol file: 102645-35-2.mol

Synonyms:2,5-dichloroisonicotinonitrile;102645-35-2;2,5-dichloropyridine-4-carbonitrile;2,5-dichloro-isonicotinonitrile;2,5-dichloro-4-pyridinecarbonitrile;4-Pyridinecarbonitrile, 2,5-dichloro-;MFCD13185482;4-Cyano-2,5-dichloropyridine;dichloroisonicotinonitrile;3,6-dichloro-4-cyanopyridine;SCHEMBL4486546;DTXSID40543860;OZACVJUZLULNPG-UHFFFAOYSA-N;CEA64535;AKOS005071674;AE-0767;SB30249;SY284500;CS-0132118;EN300-93716;D95523;W-204461

Chemical Property of 2,5-Dichloroisonicotinonitrile

Chemical Property:

• PSA: 36.68000
• LogP: 2.26008
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 171.9595035
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

2,5-Dichloroisonicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CN=C1Cl)Cl)C#N

Technology Process of 2,5-Dichloroisonicotinonitrile

There total 3 articles about 2,5-Dichloroisonicotinonitrile 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: 94.0%

C6H4Cl2N2O (102645-34-1) → 2,5-dichloro-4-pyridinecarbonitrile (102645-35-2)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol;

DOI:10.1016/j.bmcl.2009.10.041

Reference yield:

2,5-dichloro-4-pyridinecarboxaldehyde oxime + dichloromethane (75-09-2) + pyrographite (7440-44-0) → 2,5-dichloro-4-pyridinecarbonitrile (102645-35-2)

Guidance literature:

With trichlorophosphate; In acetonitrile;

Reference yield:

→ 2,5-dichloro-4-pyridinecarbonitrile (102645-35-2)

Guidance literature:

upstream raw materials:

dichloromethane

pyrographite

C₆H₄Cl₂N₂O

Downstream raw materials:

5-phenyl-1H-pyrazolo[3,4-c]pyridin-3-ylamine

Refernces

• 1、 -. "Pyridine compounds which are useful as pesticides". . . Retrieved 2008/06/13.