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2,4-Diaminobenzolsulfonsure
MPDSA · O-AMINOSULFANILIC ACID · 3-AMINO-4-SULFOANILINE · 2,4-DIAMINO-1-SULFOBENZENE · 4-Sulfo-1,3-diaminobenzene · m-Diaminobenzenesulfonicacid · 2,4-diamino-benzenesulfonicaci · 1,3-DIAMINOBENZENESULFONIC ACID
Identifikatoren & physikalische Daten
| CAS No. | 88-63-1 |
|---|---|
| Summenformel | C6H8N2O3S |
| Durchschnittliche Molmasse | 188,21 g/mol |
| Monoisotopische Masse | 188,0255633 g/mol |
| SMILES | Nc1ccc(S(=O)(=O)O)c(N)c1 |
| InChIKey | JVMSQRAXNZPDHF-UHFFFAOYSA-N |
| PubChem CID | 66623 |
| ChEMBL | CHEMBL3184102 |
| EC No. | 201-846-5 |
| DTXSID | DTXSID3044465 |
| Lokaler Name | 2,4-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 |
| Collision Cross Section | 137.9 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID3044465] |
| Schmelzpunkt | 260-266 °C (dec.) |
| Siedepunkt | 500°C (estimate) |
| Dichte | 1.366 (estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6490 (estimate) |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly, Heated), Methanol (Slightly)1000g/L at 25℃ |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 2.99±0.10(Predicted) |
| Farbe | White to Pale Yellow |
| BRN | 2694057 |
| InChI | 1S/C6H8N2O3S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H,7-8H2,(H,9,10,11) |
| InChIKey | JVMSQRAXNZPDHF-UHFFFAOYSA-N |
| SMILES | Nc1ccc(c(N)c1)S(O)(=O)=O |
| LogP (Verteilungskoeffizient) | -4.65 |
| CAS Datenbank | 88-63-1(CAS DataBase Reference) |
| EPA chemische Informationen | Benzenesulfonic acid, 2,4-diamino- (88-63-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 11.1% (10 of 90) of reports.WarningH315 (83.3%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (81.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 90 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 10 of 90 reports by companies.There are 5 notifications provided by 80 of 90 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenesulfonic acid, 2,4-diamino-Status: Active Update: 23-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17689Status: Active Update: 11-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27862 |
| Hazard Classes and Categories | Skin Irrit. 2 (83.3%)Skin Sens. 1 (81.1%)Eye Irrit. 2 (83.3%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 1759 |
| Zollcode | 29309090 |
| RTECS-Nr. | DB5900000 |
| R-Sätze (R) | 36/38-43-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/39-37/39-36 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,4-Diaminobenzenesulfonic acid was used in preparation of series of sulfonated homo- and random co-polyimides.