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2,5-Diaminobenzolsulfonsure
2,5-Diaminobenzenesulfonic · 2-Sulfo-1,4-phenylenediamine · 2-Sulfo-p-phenylenediamine · 2,5-Diaminobenzolsulfonsure · 2,5-diaminobenzenesulfonate · 2,5-diamino-benzenesulfonicaci · 2,5-DIAMINOBENZENESULFONIC ACID · P-PHENYLENEDIAMINESULFONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 88-45-9 |
|---|---|
| Summenformel | C6H8N2O3S |
| Durchschnittliche Molmasse | 188,21 g/mol |
| Monoisotopische Masse | 188,02556312 g/mol |
| SMILES | Nc1ccc(N)c(S(=O)(=O)O)c1 |
| InChIKey | HEAHMJLHQCESBZ-UHFFFAOYSA-N |
| PubChem CID | 66617 |
| EC No. | 201-832-9 |
| DTXSID | DTXSID7058969 |
| Lokaler Name | 2,5-Diaminobenzolsulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | -1 |
|---|---|
| Polarare Oberfläche (TPSA) | 115 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 246 |
| Schmelzpunkt | 298-300 °C (dec.) (lit.) |
| Siedepunkt | 500°C |
| Dichte | 1.366 (estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6490 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | 2.308g/L in organic solvents at 20 ℃4g/L at 26℃ |
| pKa (Säurekonstante) | 5.17±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | White to Light gray to Light orange |
| BRN | 2970398 |
| InChI | 1S/C6H8N2O3S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11) |
| InChIKey | HEAHMJLHQCESBZ-UHFFFAOYSA-N |
| SMILES | Nc1ccc(N)c(c1)S(O)(=O)=O |
| LogP (Verteilungskoeffizient) | 0.146 at 26℃ |
| CAS Datenbank | 88-45-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonic acid, 2,5-diamino- (88-45-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.3% (6 of 82) of reports.DangerH314 (87.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 82 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 03-01-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/11416 |
| Hazard Classes and Categories | Skin Corr. 1B (87.8%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2583 8/PG 2 |
| Zollcode | 2921.59.8090 |
| RTECS-Nr. | DB5900100 |
| R-Sätze (R) | 34-36/37/38 |
| Gefahrensymbole | C,Xi |
| Sicherheitshinweise (S) | 26-36/37/39-45-36 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,5-Diaminobenzenesulfonic acid was used in preparation of a polymeric dye, required for laccase-mediated dyeing of cotton.