HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Hydroxybenzenethiol
3-Hydroxy · 3-MERCAPTOPHENOL · 3-HYDROXYBENZENETHIOL · m-Mercaptophenol · 3-sulfanylphenol · 3-Sulphanylphenol · Monothioresorcinol · 3-HYDROXYTHIOPHENOL
Identifikatoren & physikalische Daten
| CAS No. | 40248-84-8 |
|---|---|
| Summenformel | C6H6OS |
| Durchschnittliche Molmasse | 126,18 g/mol |
| Monoisotopische Masse | 126,01393581 g/mol |
| SMILES | Oc1cccc(S)c1 |
| InChIKey | DOFIAZGYBIBEGI-UHFFFAOYSA-N |
| PubChem CID | 2736613 |
| EC No. | 609-803-6 |
| DTXSID | DTXSID90371478 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,2 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Schmelzpunkt | 16-17 °C(lit.) |
| Siedepunkt | 242-243 °C(lit.) |
| Dichte | 1.237 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D >1.6290(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 6.50±0.10(Predicted) |
| Farbe | Clear colorless to pale yellow |
| Wichte | 1.24 |
| InChI | InChI=1S/C6H6OS/c7-5-2-1-3-6(8)4-5/h1-4,7-8H |
| InChIKey | DOFIAZGYBIBEGI-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=CC(S)=C1 |
| LogP (Verteilungskoeffizient) | 1.814 (est) |
| CAS Datenbank | 40248-84-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH317 (93%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (93%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3334 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36-36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant/Stench |
| Sicherheitshinweise (S) | 26-36-7/9 |
| Gefahrenklasse | IRRITANT, AIR SENSITIVE, STENCHEye Dam. 1Skin Sens. 1 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-mercaptophenol may be used in the synthesis of the following:4-(3-hydroxyphenylthio)naphthalene-1,2-dione, which shows fluorosence emission[C6H4-1-(SPPh2)-3-(OPPh2)], a non-symmetric ligand which can combine with PdCl2 to form a pincer complex