3,5-DIAMINONITROBENZENE

Base Information

• Chemical Name: 3,5-DIAMINONITROBENZENE
• CAS No.: 5042-55-7
• Molecular Formula: C6H7 N3 O2
• Molecular Weight: 153.14
• Hs Code.: 2921519090
• European Community (EC) Number: 225-737-7
• NSC Number: 166388,283
• UNII: 0O8F5J46MV
• DSSTox Substance ID: DTXSID7063687
• Nikkaji Number: J80.943H
• Wikidata: Q27237032
• Mol file: 5042-55-7.mol

Synonyms:m-Phenylenediamine,5-nitro- (6CI,7CI,8CI); 1,3-Diamino-5-nitrobenzene; 1-Nitro-3,5-diaminobenzene;3,5-Diaminonitrobenzene; 3-Amino-5-nitroaniline; 5-Nitro-m-phenylenediamine;NSC 166388; NSC 283

Chemical Property of 3,5-DIAMINONITROBENZENE

Chemical Property:

• Vapor Pressure: 1.69E-07mmHg at 25°C
• Melting Point: 159 °C
• Boiling Point: 427°Cat760mmHg
• PKA: 3.03±0.10(Predicted)
• Flash Point: 212.1°C
• PSA: 97.86000
• Density: 1.446g/cm³
• LogP: 2.44480
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 153.053826475
• Heavy Atom Count: 11
• Complexity: 146

Purity/Quality:

99%, ^*data from raw suppliers

5-Nitrobenzene-1,3-diamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1=C(C=C(C=C1N)[N+](=O)[O-])N

Technology Process of 3,5-DIAMINONITROBENZENE

There total 7 articles about 3,5-DIAMINONITROBENZENE 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: 89.0%

3, 5-dinitroaniline (618-87-1) → 5-nitrobenzene-1,3-diamine (5042-55-7)

Guidance literature:

With potassium hydroxide; nickel-incorporated hexagonal mesoporous aluminophosphate; In isopropyl alcohol; at 82.84 ℃; for 4h;

DOI:10.1016/j.tetlet.2003.12.091

Reference yield: 74.0%

1,3,5-trinitrobenzene (99-35-4) → 5-nitrobenzene-1,3-diamine (5042-55-7)

Guidance literature:

With iron(III) chloride; pyrographite; hydrazine hydrate; In methanol; at 20 - 60 ℃; for 3h;

DOI:10.1007/s11172-006-0356-2

Reference yield:

→ 5-nitrobenzene-1,3-diamine (5042-55-7)

Guidance literature:

With ammonium sulfide;

upstream raw materials:

1,3,5-trinitrobenzene

3, 5-dinitroaniline

3,5-dinitrobenzoic acid

Downstream raw materials:

5-nitro-phenanthroline

3,5-bis(2-tert-butoxyacetamido)nitrobenzene

3-methanesuldonamido-5-nitromethanesulfonanilide

C₁₈H₂₃N₃O₈

Refernces

• 1、 Selvam, Parasuraman,Mohapatra, Susanta K.,Sonavane, Sachin U.,Jayaram, Radha V.. "Chemo- and regioselective reduction of nitroarenes, carbonyls and azo dyes over nickel-incorporated hexagonal mesoporous aluminophosphate molecular sieves". . p. 2003 - 2007. Retrieved 2007/10/03.
• 2、 Mohapatra, Susanta K.,Sonavane, Sachin U.,Jayaram, Radha V.,Selvam, Parasuraman. "Regio- and chemoselective catalytic transfer hydrogenation of aromatic nitro and carbonyl as well as reductive cleavage of azo compounds over novel mesoporous NiMCM-41 molecular sieves". . p. 4297 - 4300. Retrieved 2007/10/03.