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4-Hydroxynaphthalin-1-sulfonsure
Niven acid · Neville acid · 1,4-Oxy Acid · Nevile-Winther acid · Nevile-Winthers acid · 1-Naphthol-4-sulfoni · HIGH-PURITY N.W. ACID · Nevileandwinther’sacid
Identifikatoren & physikalische Daten
| CAS No. | 84-87-7 |
|---|---|
| Summenformel | C10H8O4S |
| Durchschnittliche Molmasse | 224,23 g/mol |
| Monoisotopische Masse | 224,01432974 g/mol |
| SMILES | O=S(=O)(O)c1ccc(O)c2ccccc12 |
| InChIKey | HGWQOFDAUWCQDA-UHFFFAOYSA-N |
| PubChem CID | 6791 |
| ChEMBL | CHEMBL2312197 |
| EC No. | 201-568-4 |
| DTXSID | DTXSID2058910 |
| Lokaler Name | 4-Hydroxynaphthalin-1-sulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 83 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 319 |
| Schmelzpunkt | 170℃ |
| Siedepunkt | 335.63°C (rough estimate) |
| Dichte | 1.4643 (rough estimate) |
| Brechungsindex | 1.7040 (estimate) |
| Lagerbedingungen | 2-8°C, stored under nitrogen, away from moisture |
| pKa (Säurekonstante) | 0.73±0.40(Predicted) |
| Aggregatzustand | solid |
| Farbe | white to yellow |
| InChI | InChI=1S/C10H8O4S/c11-9-5-6-10(15(12,13)14)8-4-2-1-3-7(8)9/h1-6,11H,(H,12,13,14) |
| InChIKey | HGWQOFDAUWCQDA-UHFFFAOYSA-N |
| SMILES | C1(S(O)(=O)=O)=C2C(C=CC=C2)=C(O)C=C1 |
| CAS Datenbank | 84-87-7(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Naphthalenesulfonic acid, 4-hydroxy- (84-87-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 1.6% (2 of 124) of reports.WarningH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 124 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: 14-07-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10797 |
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Beschreibung
Die 1-Naphthol-4-sulfonsäure bildet glänzende, durchsichtige, in Wasser leicht lösliche Tafeln. Die Verbindung wird zur Herstellung einer großen Anzahl von roten, blauen und violetten Azofarbstoffen verwendet.
Herstellung & Synthese
synthetische
After drying under vacuum, the resulting filter cake contains 1-naphthol-4-sulphonic acid in a yield of 92% of theory and <0.5% 1-naphthol-2-sulphonic acid and 3% of 1-naphthol-2,4-disulphonic acid based on the weight of 1-naphthol-4-sulphonic acid.