2-Chloro-6-(4-chlorophenyl)nicotinonitrile

Base Information

• Chemical Name: 2-Chloro-6-(4-chlorophenyl)nicotinonitrile
• CAS No.: 84596-41-8
• Molecular Formula: C12H6 Cl2 N2
• Molecular Weight: 249.1
• Hs Code.: 2933399090
• European Community (EC) Number: 809-707-6
• DSSTox Substance ID: DTXSID00377547
• Nikkaji Number: J2.484.367J
• Wikidata: Q82166801
• Mol file: 84596-41-8.mol

Synonyms:2-Chloro-6-(4-chlorophenyl)nicotinonitrile;84596-41-8;2-chloro-6-(4-chlorophenyl)pyridine-3-carbonitrile;Bionet2_000260;SCHEMBL1918785;2-CHLORO-6-(4-CHLOROPHENYL)-3-PYRIDINECARBONITRILE;DTXSID00377547;XFWLUBBMHXSZTG-UHFFFAOYSA-N;HMS1364L18;MFCD00215059;AKOS000345204;SB55371;10H-461S;CS-0170963;FT-0679918;A914957;2-Chloro-6-(4-chlorophenyl)pyridine-3-carbonitrile, AldrichCPR

Chemical Property of 2-Chloro-6-(4-chlorophenyl)nicotinonitrile

Chemical Property:

• Melting Point: 180-183°C
• PSA: 36.68000
• LogP: 3.92708
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 247.9908036
• Heavy Atom Count: 16
• Complexity: 278

Purity/Quality:

97% ^*data from raw suppliers

2-Chloro-6-(4-chlorophenyl)pyridine-3-carbonitrile Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20/21/22-36/37/38-41-25
• Safety Statements: 26-36/37/39-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NC(=C(C=C2)C#N)Cl)Cl

Technology Process of 2-Chloro-6-(4-chlorophenyl)nicotinonitrile

There total 2 articles about 2-Chloro-6-(4-chlorophenyl)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: 68.0%

para-chloroacetophenone (99-91-2) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + malononitrile (109-77-3) → 2-Chloro-6-(4-chlorophenyl)-3-pyridinecarbonitrile (84596-41-8)

Guidance literature:

N,N-dimethyl-formamide; With bis(trichloromethyl) carbonate; In 1,2-dichloro-ethane; at 0 - 20 ℃;

para-chloroacetophenone; In 1,2-dichloro-ethane; at 20 - 60 ℃;

malononitrile; In 1,2-dichloro-ethane; at 60 ℃; Reflux;

DOI:10.1080/00304940903324531

Reference yield:

P,P-dichlorophenylphosphine oxide (824-72-6) + concentrated NH4 OH + 3-cyano-6-(4-chlorophenyl)pyridine-2(1H)-one (23148-51-8) → 2-Chloro-6-(4-chlorophenyl)-3-pyridinecarbonitrile (84596-41-8)

Guidance literature:

In (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

2-Chloro-6-(4-chlorophenyl)-3-pyridinecarbonitrile (84596-41-8) → 6-(4-CHLOROPHENYL)-3-PYRIDINE CARBONITRILE

Guidance literature:

palladium-carbon; In N,N-dimethyl-formamide;

upstream raw materials:

para-chloroacetophenone

N,N-dimethyl-formamide

malononitrile

P,P-dichlorophenylphosphine oxide

Downstream raw materials:

2-(2-chlorophenoxy)-6-(4-chlorophenyl)nicotinonitrile