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7-Amino-4-hydroxynaphthalin-2-sulfonsure
Diacid · 2-AMINO-5-NAPHTHOL-7-SULFONIC ACID · 7-AMINO-4-HYDROXY-2-NAPHTHALENESULFONIC ACID · 6-AMINO-1-NAPHTHOL-3-SULFONIC ACID · 6-Amino-1-naphthol-3-sulfonic Acid Hydrate · 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- · I-ACID · J ACID
Identifikatoren & physikalische Daten
| CAS No. | 87-02-5 |
|---|---|
| Summenformel | C10H9NO4S |
| Durchschnittliche Molmasse | 239,25 g/mol |
| Monoisotopische Masse | 239,02522877 g/mol |
| SMILES | Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1 |
| InChIKey | KYARBIJYVGJZLB-UHFFFAOYSA-N |
| PubChem CID | 6868 |
| ChEMBL | CHEMBL220259 |
| ChEBI | CHEBI:87316 |
| EC No. | 201-718-9 |
| DTXSID | DTXSID7026520 |
| Lokaler Name | 7-Amino-4-hydroxynaphthalin-2-sulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 109 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 350 |
| Physical Description | Dry Powder |
| Collision Cross Section | 153.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID7026520] |
| Dichte | 1.4338 (rough estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.6500 (estimate) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Slightly soluble in water5g/L at 20℃ |
| pKa (Säurekonstante) | -0.28±0.40(Predicted) |
| Aggregatzustand | powder |
| Farbe | yellow |
| InChI | InChI=1S/C10H9NO4S/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15/h1-5,12H,11H2,(H,13,14,15) |
| InChIKey | KYARBIJYVGJZLB-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=CC(N)=C2)=C(O)C=C1S(O)(=O)=O |
| LogP (Verteilungskoeffizient) | -1.39 |
| CAS Datenbank | 87-02-5(CAS DataBase Reference) |
| EPA chemische Informationen | 7-Amino-4-hydroxy-2-naphthalenesulfonic acid (87-02-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 78.3% (173 of 221) of all reports.DangerH314 (20.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 221 reports by companies from 5 notifications to the ECHA C&L Inventory.Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/55922-Naphthalenesulfonic acid, 7-amino-4-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Corr. 1B (20.8%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2585 8/PG 3 |
| Zollcode | 2922190090 |
| RTECS-Nr. | QK1295500 |
| R-Sätze (R) | 34 |
| Toxizität | LD50 oral in rat: 11500mg/kg |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Azo dye intermediate.