2-Chloro-5-(4-chlorophenyl)nicotinonitrile

Base Information

• Chemical Name: 2-Chloro-5-(4-chlorophenyl)nicotinonitrile
• CAS No.: 35982-99-1
• Molecular Formula: C12H6Cl2N2
• Molecular Weight: 249.099
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID60377265
• Wikidata: Q82166425
• Mol file: 35982-99-1.mol

Synonyms:2-chloro-5-(4-chlorophenyl)nicotinonitrile;35982-99-1;2-chloro-5-(4-chlorophenyl)pyridine-3-carbonitrile;2-CHLORO-5-(4-CHLOROPHENYL)-3-PYRIDINECARBONITRILE;Oprea1_205969;SCHEMBL2321872;DTXSID60377265;LZLIPWXJWNAMQJ-UHFFFAOYSA-N;MFCD00231583;AKOS005070601;5J-312S;CS-0365214;FT-0680449;2-chloro-5-(4-chloro-phenyl)-nicotinonitrile;A874475;J-508782

Chemical Property of 2-Chloro-5-(4-chlorophenyl)nicotinonitrile

Chemical Property:

• Vapor Pressure: 1.13E-06mmHg at 25°C
• Melting Point: 182-184°C
• Boiling Point: 402°Cat760mmHg
• Flash Point: 196.9°C
• PSA: 36.68000
• Density: 1.42g/cm³
• 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-5-(4-chlorophenyl)nicotinonitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-5-(4-chlorophenyl)nicotinonitrile

There total 5 articles about 2-Chloro-5-(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:

4-chlorophenylacetic Acid (1878-66-6) → 2-chloro-5-(4-chlorophenyl)-3-pyridinecarbonitrile (35982-99-1)

Guidance literature:

Multi-step reaction with 3 steps

1.1: trichlorophosphate / 6 h / 0 - 75 °C / Inert atmosphere

1.2: 1 h / 100 °C / pH 11

2.1: sodium methylate / methanol / 1 h / 20 °C / Inert atmosphere

2.2: 4 h / Reflux; Inert atmosphere

3.1: trichlorophosphate / 120 - 130 °C / Inert atmosphere

With sodium methylate; trichlorophosphate; In methanol; 1.1: |Vilsmeier-Haack Formylation;

DOI:10.1021/jm400704g

Reference yield:

C11H12ClNO2 → 2-chloro-5-(4-chlorophenyl)-3-pyridinecarbonitrile (35982-99-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium methylate / methanol / 1 h / 20 °C / Inert atmosphere

1.2: 4 h / Reflux; Inert atmosphere

2.1: trichlorophosphate / 120 - 130 °C / Inert atmosphere

With sodium methylate; trichlorophosphate; In methanol;

DOI:10.1021/jm400704g

Reference yield:

5-(4-chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarbonitrile (35982-98-0) → 2-chloro-5-(4-chlorophenyl)-3-pyridinecarbonitrile (35982-99-1)

Guidance literature:

With trichlorophosphate; at 120 - 130 ℃; Inert atmosphere;

DOI:10.1021/jm400704g

upstream raw materials:

P,P-dichlorophenylphosphine oxide

ammonium hydroxide

5-(4-chlorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarbonitrile

4-chlorophenylacetic Acid

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