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HCID 4294Erstellt: 4. November 2026
2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoesure
2-[[(3-Amino-4-hydro · ANTHRANILIC OPSAMIDE · N-(4-HYDROXYMETANILYL)ANTHRANILICACID · 2-AMINOPHENOL-4-(2'-CARBOXY)SULFONANILIDE · 2-AMINOPHENOL-4-(2-CARBOXY) SULFONANILIDE · 2-Aminophenol-4-(2'-carboxyl)sulfonylaniline · 2,3,4-trihydroxy-1-cyclohepta-2,4,6-trienone · 2- Aminophenol-4-(2′-Carboxyl) Sulfonanilide
https://huagongshe.com/de/chemical/4294
Identifikatoren & physikalische Daten
| CAS No. | 91-35-0 |
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| Summenformel | C13H12N2O5S |
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| Durchschnittliche Molmasse | 308,31 g/mol |
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| Monoisotopische Masse | 308,04669266 g/mol |
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| SMILES | Nc1cc(S(=O)(=O)Nc2ccccc2C(=O)O)ccc1O |
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| InChIKey | ISDVREGLMJJFJG-UHFFFAOYSA-N |
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| PubChem CID | 4294 |
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| EC No. | 202-063-1 |
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| DTXSID | DTXSID6059023 |
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| Lokaler Name | 2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoesure |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 138 |
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| H-Brücken-Donoren | 4 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 475 |
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| Schmelzpunkt | >203°C |
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| Siedepunkt | 580.1±60.0 °C(Predicted) |
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| Dichte | 1.607±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| pKa (Säurekonstante) | 3.26±0.36(Predicted) |
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| InChI | InChI=1S/C13H12N2O5S/c14-10-7-8(5-6-12(10)16)21(19,20)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,14H2,(H,17,18) |
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| InChIKey | ISDVREGLMJJFJG-UHFFFAOYSA-N |
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| SMILES | C(O)(=O)C1=CC=CC=C1NS(C1=CC=C(O)C(N)=C1)(=O)=O |
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| CAS Datenbank | 91-35-0(CAS DataBase Reference) |
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| EPA chemische Informationen | Benzoic acid, 2-[[(3-amino-4-hydroxyphenyl)sulfonyl]amino]- (91-35-0) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.4% (1 of 42) of reports.WarningH302 (90.5%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | REACH registered substance: 2-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]benzoic acid (EC: 202-063-1) |
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| Hazard Classes and Categories | Acute Tox. 4 (90.5%) |
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| TSCA-Inventar-Status | TSCA listed |
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![Molekülstruktur von 2-[[(3-Amino-4-hydroxyphenyl)sulfonyl]amino]benzoesure](/img/chemical/4294.png)