1-Nitro-3-(trinitromethyl)benzene

Base Information

• Chemical Name: 1-Nitro-3-(trinitromethyl)benzene
• CAS No.: 71156-14-4
• Molecular Formula: C7H4N4O8
• Molecular Weight: 272.131
• DSSTox Substance ID: DTXSID00500636
• Wikidata: Q82352397
• Mol file: 71156-14-4.mol

Synonyms:1-Nitro-3-(trinitromethyl)benzene;71156-14-4;m-nitrophenyltrinitromethane;DTXSID00500636

Chemical Property of 1-Nitro-3-(trinitromethyl)benzene

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 272.00291310
• Heavy Atom Count: 19
• Complexity: 379

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-Nitro-3-(trinitromethyl)benzene

There total 8 articles about 1-Nitro-3-(trinitromethyl)benzene 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: 79.0%

m-nitrobenzonitrile oxide (7007-35-4) → m-nitrophenyltrinitromethane (71156-14-4)

Guidance literature:

With dinitrogen tetraoxide; In dichloromethane; at 18 - 20 ℃; for 3h;

DOI:10.1007/BF00957862

Reference yield: 23.0%

m-nitrobenzonitrile oxide (7007-35-4) → m-nitrophenyltrinitromethane (71156-14-4) + 3,4-bis(3-nitrophenyl)furoxan (51003-63-5) + 3-nitrobenzonitrile (619-24-9)

Guidance literature:

With dinitrogen trioxide; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1007/BF00957863

Reference yield: 20.0%

C7H4N3O6(1-)*K(1+) (28198-69-8) → m-nitrophenyltrinitromethane (71156-14-4) + 3,4-bis(3-nitrophenyl)furoxan (51003-63-5)

Guidance literature:

With dinitrogen tetraoxide; In chloroform; at 0 - 10 ℃; for 0.166667h;

DOI:10.1007/BF00699994

upstream raw materials:

phenyltrinitromethane

m-nitrobenzonitrile oxide

dinitromethyl-benzene

C₇H₄N₃O₆^(1-)*K⁽¹⁺⁾

Downstream raw materials:

m-nitrophenyldinitromethane

N,N-Dimethyl-N'-[1-nitro-1-(3-nitro-phenyl)-meth-(E)-ylidene]-hydrazine