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p-Mercaptophenol
4-HYDROXYTHIOPHENOL · 4-Sulfanylphenol · hydroxybenzenethiol · 4-HYDROXYBENZENETHIOL · usafb-57 · USAF B-57 · 4MERCAPTOPHENO · PARA-THIOPHENOL
Identifikatoren & physikalische Daten
| CAS No. | 637-89-8 |
|---|---|
| Summenformel | C6H6OS |
| Durchschnittliche Molmasse | 126,18 g/mol |
| Monoisotopische Masse | 126,01393581 g/mol |
| SMILES | Oc1ccc(S)cc1 |
| InChIKey | BXAVKNRWVKUTLY-UHFFFAOYSA-N |
| PubChem CID | 240147 |
| EC No. | 211-307-6 |
| DTXSID | DTXSID2073223 |
| Lokaler Name | p-Mercaptophenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 66,9 |
| Schmelzpunkt | 33-35 °C(lit.) |
| Siedepunkt | 149-150 °C25 mm Hg(lit.) |
| Dichte | 1.255 |
| Brechungsindex | 1.5101 (estimate) |
| Flammpunkt | >230 °F |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly)soluble |
| pKa (Säurekonstante) | 6.82±0.10(Predicted) |
| Aggregatzustand | Liquid or Low Melting Solid |
| Farbe | Clear colorless to light yellow |
| BRN | 2039306 |
| Stabilität | Stability Air sensitive. Incompatible with oxidizing agents. |
| InChI | 1S/C6H6OS/c7-5-1-3-6(8)4-2-5/h1-4,7-8H |
| InChIKey | BXAVKNRWVKUTLY-UHFFFAOYSA-N |
| SMILES | Oc1ccc(S)cc1 |
| LogP (Verteilungskoeffizient) | 1.690 (est) |
| CAS Datenbank | 637-89-8(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Mercaptophenol(637-89-8) |
| EPA chemische Informationen | Phenol, 4-mercapto- (637-89-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 152 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Phenol, 4-mercapto-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (95.4%) |
| F | 10-13-23 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29309090 |
| RTECS-Nr. | MX7175000 |
| R-Sätze (R) | 36/37/38-34-20/21/22 |
| Gefahrensymbole | Xi,C,Xn |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) | 26-36/37-45-36/37/39-36-7/9 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Mercaptophenol was used as a resin monomer in the study of the different gold nanocrystal core-resin shell structures.