4,4'-Diamino-diphenyl-methan
4,4'-DIAMINODIPHENYLMETHANE · Methylenedianiline · Diaminodiphenylmethane · DADPM · 4,4-METHYLENEDIANILINE · MDA-100 · P,P'-DIAMINODIPHENYLMETHANE · Bis-(4-aMino
Identifikatoren & physikalische Daten
| CAS No. | 101-77-9 |
|---|---|
| Summenformel | C13H14N2 |
| Durchschnittliche Molmasse | 198,26 g/mol |
| Monoisotopische Masse | 198,11569846 g/mol |
| SMILES | Nc1ccc(Cc2ccc(N)cc2)cc1 |
| InChIKey | YBRVSVVVWCFQMG-UHFFFAOYSA-N |
| PubChem CID | 7577 |
| ChEMBL | CHEMBL85728 |
| ChEBI | CHEBI:32506 |
| EC No. | 202-974-4 |
| DTXSID | DTXSID6022422 |
| Lokaler Name | 4,4'-Diamino-diphenyl-methan |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 157 |
| Schmelzpunkt | 89-91 °C(lit.) |
| Siedepunkt | 242 °C2 mm Hg(lit.) |
| Dichte | 1.15 |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5014 (estimate) |
| Flammpunkt | 430 °F |
| Löslichkeit | water: solubleSlightly soluble. <0.1 g/100 mL at 19 ºC |
| pKa (Säurekonstante) | 5.32±0.25(Predicted) |
| Farbe | White to Light yellow |
| Spezifische Wärmekapazität | Cp(crystal): 1.37 J/(g·K), at 25℃ |
| Merck | 14,2980 |
| BRN | 474706 |
| Henry-Konstante | 1.9×105 mol/(m3Pa) at 25℃, HSDB (2015) |
| InChI | 1S/C13H14N2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,14-15H2 |
| InChIKey | YBRVSVVVWCFQMG-UHFFFAOYSA-N |
| SMILES | Nc1ccc(Cc2ccc(N)cc2)cc1 |
| LogP (Verteilungskoeffizient) | 1.55 at 25℃ |
| CAS Datenbank | 101-77-9(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenamine, 4,4'-methylenebis-(101-77-9) |
| EPA chemische Informationen | 4,4'-Methylenedianiline (101-77-9) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2651 |
| Zollcode | 29215900 |
| RTECS-Nr. | BY5425000 |
| R-Sätze (R) | 45-39/23/24/25-43-48/20/21/22-51/53-68 |
| Toxizität | LD50 oral in rabbit: 620mg/kg |
| Gefahrensymbole | T,N |
| Sicherheitshinweise (S) | 53-45-61 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 2Carc. 1BMuta. 2Skin Sens. 1STOT RE 2STOT SE 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrstoffdaten | 101-77-9(Hazardous Substances Data) |
Anwendungen & Verwendung
Beschreibung
4,4'-Methylenedianiline is an industrial chemical that is not known to occur naturally. It is also commonly known as diaminodiphenylmethane or MDA. It occurs as a colorless to pale yellow solid and has a faint odor. 4,4'-Methylenedianiline is used mainly for making polyurethane foams, which have a variety of uses, such as insulating materials in mailing containers. It is also used for making coating materials, glues, Spandex fiber, dyes, and rubber. 4,4'-Methylenedianiline is also a by-product of azo dyes. It is also possibly formed by hydrolysis of diphenylmethane-4A'-diisocyanate.
Verwenden
4,4'-methylenedianiline be used as organic intermediates. Mainly used for the synthesis of polyimide and as curing agent of epoxy resin.