4,4'-Dinitro-2-biphenylamine

Base Information

• Chemical Name: 4,4'-Dinitro-2-biphenylamine
• CAS No.: 51787-75-8
• Molecular Formula: C12H9 N3 O4
• Molecular Weight: 259.221
• Hs Code.: 2921499090
• European Community (EC) Number: 257-417-8
• NSC Number: 408700
• UNII: 826TE7D4EP
• DSSTox Substance ID: DTXSID6036839
• Nikkaji Number: J294.909A
• Wikidata: Q81984066
• Mol file: 51787-75-8.mol

Synonyms:4,4'-dinitro-2-biphenylamine;dn-biphenylamine

Chemical Property of 4,4'-Dinitro-2-biphenylamine

Chemical Property:

• Melting Point: 208-210 °C(lit.)
• Boiling Point: 472°Cat760mmHg
• PKA: 0.54±0.10(Predicted)
• Flash Point: 239.3°C
• PSA: 117.66000
• Density: 1.434g/cm³
• LogP: 4.37980
• Storage Temp.: room temp
• Solubility.: Ethanol, Methanol
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 259.05930578
• Heavy Atom Count: 19
• Complexity: 344

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4’-Dinitro-2-biphenylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=C(C=C(C=C2)[N+](=O)[O-])N)[N+](=O)[O-]
• Uses: 4,4’-Dinitro-2-biphenylamine (cas# 51787-75-8) is a compound useful in organic synthesis.Dyes and metabolites.

Technology Process of 4,4'-Dinitro-2-biphenylamine

There total 6 articles about 4,4'-Dinitro-2-biphenylamine 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: 85.0%

2-phenylaniline (90-41-5) → 4,4'-dinitro-2-biphenylamine (51787-75-8)

Guidance literature:

With sulfuric acid; potassium nitrate; at 0 - 5 ℃; for 4.5h;

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4,4'-dinitro-2-biphenylamine (51787-75-8)

Guidance literature:

Multi-step reaction with 3 steps

1: nitric acid / tetrachloromethane

2: hydrogen / ethanol / 60 °C / 22052.2 Torr

3: sulfuric acid; potassium nitrate

With sulfuric acid; hydrogen; nitric acid; potassium nitrate; In tetrachloromethane; ethanol;

DOI:10.1134/S107042721109014X

Reference yield:

2-nitrobiphenyl (86-00-0) → 4,4'-dinitro-2-biphenylamine (51787-75-8)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / ethanol / 60 °C / 22052.2 Torr

2: sulfuric acid; potassium nitrate

With sulfuric acid; hydrogen; potassium nitrate; In ethanol;

DOI:10.1134/S107042721109014X

upstream raw materials:

ethyl nitrate

2-(4-nitrophenyl)aniline

2-phenylaniline

sulfuric acid

Downstream raw materials:

3,8-dinitro-6-phenylphenanthridine

(paracyanobenzamido)-2 dinitro-4,4' biphenyle

1-(3-cyanobenzamido)-3,8-dinitrobiphenyl

3,8-diamino-5-ethyl-6-phenylphenanthridinium ethyl sulfate

Refernces

• 1、 Lion, C.,Boukou-Poba, J. P.,Charvy, C.. "SYNTHESE DANS LA CHIMIE DES PHENANTHRIDINES. III. PREPARATION DE QUELQUES MODELES D'ACIDES ω-(DIAMINO-3,8 PHENANTHRIDINYL-6) CARBOXYLIQUES". . p. 171 - 181. Retrieved 2007/10/02.