3-Chloro-4-nitrobenzonitrile

Base Information

• Chemical Name: 3-Chloro-4-nitrobenzonitrile
• CAS No.: 34662-29-8
• Molecular Formula: C7H3ClN2O2
• Molecular Weight: 182.566
• Hs Code.: 2926909090
• European Community (EC) Number: 871-505-9
• DSSTox Substance ID: DTXSID80566311
• Nikkaji Number: J180.814A
• Wikidata: Q82451882
• Mol file: 34662-29-8.mol

Synonyms:3-CHLORO-4-NITROBENZONITRILE;34662-29-8;C7H3ClN2O2;3-chloro-4-nitro-benzonitrile;MFCD02317167;Benzonitrile, 3-chloro-4-nitro-;SCHEMBL6387;4-nitro-3-chlorobenzonitrile;1-chloro-5-cyano-2-nitrobenzene;DTXSID80566311;AKOS022174825;CS-W019043;DS-7525;AC-28540;AM807293;SY113525;EN300-252273;A849220

Chemical Property of 3-Chloro-4-nitrobenzonitrile

Chemical Property:

• Boiling Point: 319.7±27.0 °C(Predicted)
• PSA: 69.61000
• Density: 1.47±0.1 g/cm3(Predicted)
• LogP: 2.64308
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 181.9883050
• Heavy Atom Count: 12
• Complexity: 229

Purity/Quality:

99% ^*data from raw suppliers

3-Chloro-4-nitrobenzonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C#N)Cl)[N+](=O)[O-]

Technology Process of 3-Chloro-4-nitrobenzonitrile

There total 3 articles about 3-Chloro-4-nitrobenzonitrile 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: 74.0%

4-amino-3-chlorobenzonitrile (21803-75-8) → 1-chloro-5-cyano-2-nitrobenzene (34662-29-8)

Guidance literature:

With sodium borate; In acetic acid; at 50 - 62 ℃; for 3h;

Reference yield:

4-amino-3-chlorobenzonitrile (21803-75-8) + copper(I) oxide (1317-39-1,146060-06-2) → 1-chloro-5-cyano-2-nitrobenzene (34662-29-8)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water;

Reference yield:

3-chloro-4-nitroaniline (825-41-2) → 1-chloro-5-cyano-2-nitrobenzene (34662-29-8)

Guidance literature:

durch Austausch von NH₂ gegen CN nach Sandmeyer;

upstream raw materials:

3-chloro-4-nitroaniline

4-amino-3-chlorobenzonitrile

copper(I) oxide

Downstream raw materials:

3-(2,4-difluorophenoxy)-4-nitrobenzonitrile

4-nitro-3-propylaminobenzonitrile

C₂₃H₁₇ClN₆O₃

C₂₃H₁₉ClN₆O

Refernces

• 1、 -. "Benzimidazole and pyridylimidazole derivatives". . . Retrieved 2008/06/13.
• 2、 -. "Novel benzotriazoles anti-inflammatory compounds". Page 59. . Retrieved 2010/11/29.