p-Chlorophenyldinitromethane

Base Information

• Chemical Name: p-Chlorophenyldinitromethane
• CAS No.: 7304-76-9
• Molecular Formula: C₇H₅ClN₂O₄
• Molecular Weight: 216.581
• DSSTox Substance ID: DTXSID601300683

Synonyms:p-chlorophenyldinitromethane;7304-76-9;1-Chloro-4-dinitromethyl-benzene;1-chloro-4-(dinitromethyl)benzene;DTXSID601300683

Chemical Property of p-Chlorophenyldinitromethane

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 215.9937843
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of p-Chlorophenyldinitromethane

There total 7 articles about p-Chlorophenyldinitromethane 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: 48.0%

4-chlorobenzaldoxime (3848-36-0) → 1-chloro-4-(dinitromethyl)benzene (7304-76-9) + para-chlorobenzoic acid (74-11-3)

Guidance literature:

With Nitrogen dioxide; In diethyl ether; at 0 ℃;

DOI:10.1246/bcsj.61.2927

Reference yield: 19.0%

4-chlorobenzaldoxime (3848-36-0) → 1-chloro-4-(dinitromethyl)benzene (7304-76-9) + 3,5-bis(4-chlorophenyl)-1,2,4-oxadiazole (158042-17-2) + 4-chlorobenzaldehyde (104-88-1)

Guidance literature:

With cerium(IV) sulphate; In chloroform; at 20 ℃;

DOI:10.1016/j.tetlet.2015.04.111

Reference yield:

4-chlorobenzaldehyde oxime (3717-24-6) + nitric acid (7697-37-2,78989-43-2) + acetic acid (64-19-7,77671-22-8) → 1-chloro-4-(dinitromethyl)benzene (7304-76-9) + 4-chlorobenzaldehyde (104-88-1)

Guidance literature:

upstream raw materials:

dinitromethane anion

chlorobenzene

4-chlorobenzaldoxime

diethyl ether

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