N-Phenyl-p-phenylenediamine

Base Information

• Chemical Name: N-Phenyl-p-phenylenediamine
• CAS No.: 101-54-2
• Deprecated CAS: 12227-74-6,76600-63-0,2365226-94-2,76600-63-0
• Molecular Formula: C12H12N2
• Molecular Weight: 184.241
• Hs Code.: 2921.51
• European Community (EC) Number: 202-951-9
• ICSC Number: 1446
• NSC Number: 37074,3401
• UN Number: 1673
• UNII: 007X4XXS71
• DSSTox Substance ID: DTXSID7025895
• Nikkaji Number: J4.017G
• Wikipedia: 4-Aminodiphenylamine
• Wikidata: Q4533362
• Metabolomics Workbench ID: 60364
• ChEMBL ID: CHEMBL572203
• Mol file: 101-54-2.mol

Synonyms:4-aminodiphenylamine;4-aminodiphenylamine monohydrochloride;4-aminodiphenylamine sulfate;4-aminodiphenylamine sulfate (2:1);N-phenyl-1,4-benzenediamine;N-phenyl-p-phenylenediamine;p-aminodiphenylamine;p-anilinoaniline;para-aminodiphenylamine;Semidine

Chemical Property of N-Phenyl-p-phenylenediamine

Chemical Property:

• Appearance/Colour: Odorless purple-black solid or flake or dark purple chips
• Vapor Pressure: 0.000171mmHg at 25°C
• Melting Point: 69 °C
• Refractive Index: 1.656
• Boiling Point: 354.7 °C at 760 mmHg
• PKA: 5.20±0.10(Predicted)
• Flash Point: 197.8 °C
• PSA: 38.05000
• Density: 1.09 g/cm³
• LogP: 3.66660
• Storage Temp.: Store below +30°C.
• Solubility.: ethanol: soluble10mg/mL, clear, very dark red (Violet to brown t
• Water Solubility.: Soluble in water at 20°C 0.6g/L. Soluble in (10 mg/mL) ethanol.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 184.100048391
• Heavy Atom Count: 14
• Complexity: 156
• Transport DOT Label: Poison

Purity/Quality:

96%, ^*data from raw suppliers

N-?Phenyl-?p-?phenylenediamine(p-Anilinoaniline) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi,N
• Statements: 22-36-43-42/43-36/37/38-20/22-50/53
• Safety Statements: 26-36-45-36/37/39-61-60-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Polyaromatic
• Canonical SMILES: C1=CC=C(C=C1)NC2=CC=C(C=C2)N
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is irritating to the skin and eyes. Ingestion could cause effects on the blood. This may result in the formation of methaemoglobin. Medical observation is indicated. The effects may be delayed.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization.
• Description: p-Aminodiphenylamine hydrochloride was formerly used as a hair dye. Sensitization, when deteeted by patch testing, is relatively low in hairdressers.
• Uses: Dye intermediate, pharmaceuticals, photographic chemicals. 4-Aminodiphenylamine is used as an oxidation dye color in hair dyes. It is also promoted as an efficient reagent for oxidase enzymes, including glucose, lactate, xanthine, and lysine oxidases. p-Anilinoaniline is an antioxidant that has shown to cause a reduction of NOx emissions from soybean biodiesel powered DI diesel engines but has increased CO and HC emissions. It is also used to produce dyes, pharmaceuticals, and photographic chemicals and frmerly used as a hair dye.

Technology Process of N-Phenyl-p-phenylenediamine

There total 124 articles about N-Phenyl-p-phenylenediamine 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: 29.0%

N-phenyl-N'-phenylthio-p-benzoquinone di-imine (82993-63-3) → N-phenyl-N'-phenylthio-p-phenylenediamine (88047-04-5) + diphenyldisulfane (882-33-7) + N-phenylphenylene-1,4-diamine (101-54-2)

Guidance literature:

With sodium dithionite; for 2h; Ambient temperature;

Reference yield: 21.2%

tetrachloromethane (56-23-5) + aniline (62-53-3) → N,N',N''-triphenylguanidine (101-01-9) + diphenyl hydrazine (122-66-7) + phenylcarbonimidic dichloride (622-44-6) + Azobenzene (1227476-15-4) + N-phenylphenylene-1,4-diamine (101-54-2) + N-phenyl-1,2-benzenediamine (534-85-0)

Guidance literature:

at 15 ℃; for 24h; Product distribution; Mechanism; Irradiation; also in methanol and 1,4-dioxane;

Reference yield: 18.6%

dichloromethane (75-09-2) + aniline (62-53-3) → N-methylenebenzenamine (100-62-9) + methylene chloride (74-87-3) + 1,2-dichloro-ethane (107-06-2,52399-93-6) + Azobenzene (1227476-15-4) + N-phenylphenylene-1,4-diamine (101-54-2) + N-phenyl-1,2-benzenediamine (534-85-0)

Guidance literature:

at 15 ℃; for 24h; Product distribution; Mechanism; Irradiation;

upstream raw materials:

diethyl ether

hydrogen bromide

diphenyl hydrazine

acetic acid

Downstream raw materials:

N-furfurylidene-N'-phenyl-p-phenylenediamine

N-(4-phenylaminophenyl)phthalimid

piperonal-(4-anilino-phenylimine)

5-nitro-furan-2-carboxylic acid-(4-anilino-anilide)

Refernces

A synthesis of pseudo-mauveine and a homologue

10.3184/174751911X13052165053977

The research focuses on the synthesis of pseudo-mauveine and a homologue of mauveine. The study explores the oxidation of various aromatic amines, such as N-phenyl-p-phenylenediamine and aniline, using potassium dichromate in water acidified with a small amount of sulfuric acid. The researchers were able to synthesize pseudo-mauveine and a dimethyl-substituted derivative of pseudo-mauveine, which is an isomer of mauveine A. The study also investigates the challenges in reproducing Perkin's original method for synthesizing mauveine and proposes a hypothesis that N-phenyl-p-phenylenediamine may have been involved in the historical synthesis of mauveine in the nineteenth century. The research highlights the role of specific chemicals, including aniline, o-toluidine, p-toluidine, sulfuric acid, and potassium dichromate, in the oxidation reactions and the formation of the desired dyes.

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