HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,4'-Diaminobenzanilid
DABA · 4-AMINO-N-(4-AMINOPHENYL)BENZAMIDE · 4,4'-Daba · Diaminoben · 4,4 DIAMINO BENZANILIDE · 4,4’-diaminobenzanllide · p,p'-Diaminobenzanilide · 4,4'-Diaminobenzanilide
Identifikatoren & physikalische Daten
| CAS No. | 785-30-8 |
|---|---|
| Summenformel | C13H13N3O |
| Durchschnittliche Molmasse | 227,26 g/mol |
| Monoisotopische Masse | 227,10586204 g/mol |
| SMILES | Nc1ccc(NC(=O)c2ccc(N)cc2)cc1 |
| InChIKey | XPAQFJJCWGSXGJ-UHFFFAOYSA-N |
| PubChem CID | 69917 |
| ChEMBL | CHEMBL350416 |
| EC No. | 212-321-5 |
| DTXSID | DTXSID4020400 |
| Lokaler Name | 4,4'-Diaminobenzanilid |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 81,1 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 253 |
| Schmelzpunkt | 205-207 °C(lit.) |
| Siedepunkt | 384.0±27.0 °C(Predicted) |
| Dichte | 1.314±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Practically insoluble in water |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 13.99±0.70(Predicted) |
| Farbe | White to Brown |
| BRN | 2215469 |
| InChI | InChI=1S/C13H13N3O/c14-10-3-1-9(2-4-10)13(17)16-12-7-5-11(15)6-8-12/h1-8H,14-15H2,(H,16,17) |
| InChIKey | XPAQFJJCWGSXGJ-UHFFFAOYSA-N |
| SMILES | C(NC1=CC=C(N)C=C1)(=O)C1=CC=C(N)C=C1 |
| CAS Datenbank | 785-30-8(CAS DataBase Reference) |
| EPA chemische Informationen | Benzamide, 4-amino-N-(4-aminophenyl)- (785-30-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 14.8% (8 of 54) of reports.WarningH302 (11.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 26-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23568Benzamide, 4-amino-N-(4-aminophenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29214200 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4,4'-Diaminobenzanilide (DABA) is an organic compound that is used as an intermediate in the synthesis of various dyes, pigments, and other organic compounds used in the textile and printing industries. It is also used as a intermediate in the synthesis of certain types of pharmaceuticals and agrochemicals.