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2-Aminobenzolthiol
2-AMINOTHIOPHENOL · Aminothiophenol · 2-Amino · 2-MERCAPTOANILINE · O-AMINOTHIOPHENOL · a-Ethyl pyrrole · 2-AMINOBENZENTHIOL · O-AMINOBENZENETHIOL
Identifikatoren & physikalische Daten
| CAS No. | 137-07-5 |
|---|---|
| Summenformel | C6H7NS |
| Durchschnittliche Molmasse | 125,19 g/mol |
| Monoisotopische Masse | 125,02992022 g/mol |
| SMILES | Nc1ccccc1S |
| InChIKey | VRVRGVPWCUEOGV-UHFFFAOYSA-N |
| PubChem CID | 8713 |
| ChEMBL | CHEMBL116835 |
| ChEBI | CHEBI:91019 |
| EC No. | 205-277-3 |
| DTXSID | DTXSID6051693 |
| Lokaler Name | 2-Aminobenzolthiol |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 27 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Stoffklassen | Other Classes -> Sulfur Compounds |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Dampfdruck | 0.02 [mmHg]1 hPa (69 °C) |
| Physical Description | Melting point = 26 deg C[ChemIDplus] Liquid with a stenchSensitive to airmp = 19-21 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 23 °C |
| Siedepunkt | 70-72 °C0.2 mm Hg(lit.) |
| Dichte | 1.17 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.642(lit.) |
| Flammpunkt | 175 °F |
| Lagerbedingungen | Store at <= 20°C. |
| Löslichkeit | H2O: slightly solubleINSOLUBLE |
| pKa (Säurekonstante) | pK1: <2(+1)pK2: 7.90(0) (25°C) |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow to amber |
| BRN | 606076 |
| Stabilität | Air Sensitive |
| InChI | 1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 |
| InChIKey | VRVRGVPWCUEOGV-UHFFFAOYSA-N |
| SMILES | Nc1ccccc1S |
| CAS Datenbank | 137-07-5(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenethiol, 2-amino-(137-07-5) |
| EPA chemische Informationen | Benzenethiol, 2-amino- (137-07-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 97% (2010 of 2073) of all reports.Not ClassifiedAggregated GHS information provided per 2073 reports by companies from 15 notifications to the ECHA C&L Inventory.WarningH227: Combustible liquid [Warning Flammable liquids]P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatorische Informationen | Chemical: Benzenethiol, 2-amino-Status: Active Update: 15-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/229012-Aminothiophenol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes methemoglobinemia in oral lethal-dose studies of rats[RTECS] Causes burnsMay cause skin sensitization and methemoglobinemiaInhalation may cause corrosive injuries to upper respiratory tract and lungsToxic by ingestionMay have cumulative effects[Alfa Aesar MSDS] See 2-Aminophenol. |
| Hazard Classes and Categories | Not ClassifiedFlammable liquids - Category 4 |
| Unerwünschte Wirkungen | Methemoglobinemia - The presence of increased methemoglobin in the bloodthe compound is classified as secondary toxic effect |
| F | 9-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1760 8/PG 3 |
| Zollcode | 29309070 |
| RTECS-Nr. | DC0600000 |
| R-Sätze (R) | 22-34-50/53-37-20/21/22 |
| Gefahrensymbole | C,N |
| hazard_note | Corrosive/Stench |
| Sicherheitshinweise (S) | 26-36/37/39-45-60-61-25-27 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Acute 1Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
A multifunctional compound which shows antioxidant activity in a skin cell model of UVA-induced stress.