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p-Phenylendiamin
BENZENE-1,4-DIAMINE · 1,4-PHENYLENEDIAMINE · 1,4-DIAMINOBENZENE · PARA PHENYLENE DIAMINE · 1,4-BENZENEDIAMINE · JAROCOL PPD · 4-phenylenediamine · 4-AMINOANILINE
Identifikatoren & physikalische Daten
| CAS No. | 106-50-3 |
|---|---|
| Summenformel | C6H8N2 |
| Durchschnittliche Molmasse | 108,14 g/mol |
| Monoisotopische Masse | 108,06874826 g/mol |
| SMILES | Nc1ccc(N)cc1 |
| InChIKey | CBCKQZAAMUWICA-UHFFFAOYSA-N |
| PubChem CID | 7814 |
| ChEMBL | CHEMBL403741 |
| ChEBI | CHEBI:51403 |
| EC No. | 203-404-7 |
| DTXSID | DTXSID9021138 |
| Lokaler Name | p-Phenylendiamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 54 |
| Schmelzpunkt | 138-143 °C (lit.) |
| Siedepunkt | 267 °C (lit.) |
| Dichte | 1.135 g/cm3 (20℃) |
| Dampfdichte | 3.7 (vs air) |
| Dampfdruck | 1.08 mm Hg ( 100 °C) |
| Brechungsindex | 1.6339 (estimate) |
| Flammpunkt | 156 °C |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | Soluble in alcohol, chloroform, ether and hot benzene.47 g/L (25 ºC) |
| Aggregatzustand | Powder or Flakes |
| pKa (Säurekonstante) | 4.17(at 25℃) |
| Farbe | White, gray, or purple to brown |
| pH | 9 (50g/l, H2O, 20℃) |
| Merck | 14,7285 |
| BRN | 742029 |
| Henry-Konstante | 7.1×102 mol/(m3Pa) at 25℃, Yaws (2003) |
| Stabilität | Stable, but oxidizes when exposed to air. Incompatible with oxidizing agents. Store under inert atmosphere. |
| Hauptanwendungen | Nanoparticles, liquid crystal displays, chemical mechanical polishing, bottom antireflective coatings, electrochromic materials, inks, rubber, hair dyes, cosmetics, treatment of virus skin infection |
| Kosmetik-Inhaltsstoffe Funktionen | HAIR DYEING |
| InChI | 1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2 |
| InChIKey | CBCKQZAAMUWICA-UHFFFAOYSA-N |
| SMILES | Nc1ccc(N)cc1 |
| LogP (Verteilungskoeffizient) | -0.84 at 20℃ |
| CAS Datenbank | 106-50-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Benzenediamine(106-50-3) |
| EPA chemische Informationen | p-Phenylenediamine (106-50-3) |
Sicherheit & Vorschriften
| F | 8-10-23 |
|---|---|
| Berufliche Expositionsstufe (OEB) | D |
| Arbeitsplatzgrenzwert (OEL) | TWA: 0.1 mg/m3 [skin] |
| Wassergefährdungsklasse (WGK) | 3 |
| Sofort lebensgefährliche Konzentration | 25 mg/m3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1673 (PHENYLENEDIAMINES (o-, m-, p-)) |
| Zollcode | 29215119 |
| RTECS-Nr. | SS8050000 |
| R-Sätze (R) | 23/24/25-36-43-50/53-63-36/37/38-45-40-48/22-67-52/53 |
| Toxizität | LD50 in rats (mg/kg): 80 orally, 37 i.p. (Burnett) |
| Gefahrensymbole | T,N,T+,Xn |
| Sicherheitshinweise (S) | 28-36/37-45-60-61-28A-24/25-23-53-26 |
| Gefahrenklasse | 6.1Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Sens. 1STOT SE 1 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 106-50-3(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 567 °C |
Anwendungen & Verwendung
Beschreibung
Paraphenylenediamine (PPD) is a colorless compound oxidized by hydrogen peroxide in the presence of ammonia. It is then polymerized by a coupling agent to produce a color.
Verwenden
p-Phenylenediamine is used for dyeing hairand fur, in the manufacture of azo dyes, inaccelerating vulcanization of rubber, and inantioxidants.