4-Aminobenzolthiol
4-AMINOBENZENETHIOL · P-AMINOTHIOPHENOL · 4-Aminothiopheno · P-AMINOBENZENETHIOL · 4-MERCAPTOANILINE · 4-Aminothophenol · 4-AMINOTHIOPHENOL · p-Mercaptoaniline
Identifikatoren & physikalische Daten
| CAS No. | 1193-02-8 |
|---|---|
| Summenformel | C6H7NS |
| Durchschnittliche Molmasse | 125,19 g/mol |
| Monoisotopische Masse | 125,02992022 g/mol |
| SMILES | Nc1ccc(S)cc1 |
| InChIKey | WCDSVWRUXWCYFN-UHFFFAOYSA-N |
| PubChem CID | 14510 |
| EC No. | 214-763-4 |
| DTXSID | DTXSID1074466 |
| Lokaler Name | 4-Aminobenzolthiol |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 27 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| LogP (Verteilungskoeffizient) | 1.31 |
| Schmelzpunkt | 37-42 °C(lit.) |
| Siedepunkt | 140-145 °C16 mm Hg(lit.) |
| Dichte | 1.136 (estimate) |
| Brechungsindex | 1.4606 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | 7.3g/lImmiscible with water. |
| pKa (Säurekonstante) | 8.74±0.10(Predicted) |
| Aggregatzustand | Crystals, Flakes or Crystalline Mass |
| Farbe | Off-white to brown |
| BRN | 906904 |
| InChI | 1S/C6H7NS/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 |
| InChIKey | WCDSVWRUXWCYFN-UHFFFAOYSA-N |
| SMILES | Nc1ccc(S)cc1 |
| CAS Datenbank | 1193-02-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Aminothiophenol(1193-02-8) |
| EPA chemische Informationen | 4-Aminothiophenol (1193-02-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (16.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (16.3%) |
| F | 10-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3263 8/PG 2 |
| Zollcode | 29309070 |
| RTECS-Nr. | DC0602500 |
| R-Sätze (R) | 34-37 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Stench |
| Sicherheitshinweise (S) | 26-28-36/37/39-45-25-27 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
4-Aminothiophenol (4-ATP) was employed as bifunctional molecule to functionalize gold nanoparticles (NPs) used in surface-enhanced Raman spectroscopy (SERS) detection of thrombin by protein recognition.
Herstellung & Synthese
synthetische
synthesis of 4-aminothiophenol: A mixture of 128 g. of p-chloronitrobenzene and a solution of 480 g. of sodium sulfide nonahydrate in 2 l. of water is heated to reflux for 8 hours. The cooled mixture is extracted with ether to remove a small amount of oil, the remaining aqueous solution is saturated with sodium chloride, and 240 g. of glacial acetic acid is added. The precipitated oil is removed by ether extraction, and the resulting ethereal solution is dried over sodium sulfate and distilled to give 70 g. (69%) of 4-aminothiophenol boiling at 143-146°/17 mm. and melting at 43-45°.