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4-Sulfophthalsure
ca50%inwater · 4-sulfo-phthalicaci · 4-Sulfophthalic acid · 4-SULPHOPHTHALIC ACID · 5-SULFO PHTHALIC ACID · 4-Sulfophthalic Acid 4-Sulfophthalic acid, pract. · 4-sulfophthalic acid solution · 4-sulfo-2-benzenedicarboxylicacid
Identifikatoren & physikalische Daten
| CAS No. | 89-08-7 |
|---|---|
| Summenformel | C8H6O7S |
| Durchschnittliche Molmasse | 246,2 g/mol |
| Monoisotopische Masse | 245,9834237 g/mol |
| SMILES | O=C(O)c1ccc(S(=O)(=O)O)cc1C(=O)O |
| InChIKey | WNKQDGLSQUASME-UHFFFAOYSA-N |
| PubChem CID | 6962 |
| ChEMBL | CHEMBL3182294 |
| EC No. | 201-881-6 |
| DTXSID | DTXSID6026535 |
| Lokaler Name | 4-Sulfophthalsure |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 137 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 7 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 393 |
| Physical Description | LiquidLight orange liquid (50% aqueous solution)[MSDSonline] |
| Collision Cross Section | 145.3 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6026535] |
| Siedepunkt | 92 °C |
| Dichte | 1.292 g/mL at 25 °C |
| Brechungsindex | n20/D 1.447 |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -1.40±0.50(Predicted) |
| Farbe | Clear slightly brown |
| InChI | 1S/C8H6O7S/c9-7(10)5-2-1-4(16(13,14)15)3-6(5)8(11)12/h1-3H,(H,9,10)(H,11,12)(H,13,14,15) |
| InChIKey | WNKQDGLSQUASME-UHFFFAOYSA-N |
| SMILES | OC(=O)c1ccc(cc1C(O)=O)S(O)(=O)=O |
| CAS Datenbank | 89-08-7(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Sulfophthalic acid (89-08-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97.3% (2112 of 2170) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 2112 of 2170 companies (only 2.7% companies provided GHS information). For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 2170 reports by companies from 6 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 2112 of 2170 reports by companies.There are 5 notifications provided by 58 of 2170 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: 1,2-Benzenedicarboxylic acid, 4-sulfo-1,2-Benzenedicarboxylic acid, 4-sulfo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Benzenedicarboxylic acid, 4-sulfo- 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)1,2-Benzenedicarboxylic acid, 4-sulfo-: 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. |
| Gefahrenübersicht | Emergency treatment: see Phthalic acid. [HSDB] A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitis[MSDSonline] |
| Hazard Classes and Categories | Not Classified |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors. |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29173995 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
| Gefahrstoffdaten | 89-08-7(Hazardous Substances Data) |
Anwendungen & Verwendung
Verwenden
4-Sulfophthalic acid is used a reagent for the reaction with ethylhexanol(E918755) in the preparation of a plasticizing dopant for poly(aniline).