HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
o-Mercaptophenol
2-MERCAPTOPHENOL · Mercaptophenol · o-mercaptophenol · 2-HYDROXYBENZENETHIOL · o-mercapto-pheno · 2-mercapto-pheno · 2-Sulfanylphenol · 2-Sulphanylphenol
Identifikatoren & physikalische Daten
| CAS No. | 1121-24-0 |
|---|---|
| Summenformel | C6H6OS |
| Durchschnittliche Molmasse | 126,18 g/mol |
| Monoisotopische Masse | 126,01393581 g/mol |
| SMILES | Oc1ccccc1S |
| InChIKey | VMKYTRPNOVFCGZ-UHFFFAOYSA-N |
| PubChem CID | 70718 |
| ChEMBL | CHEMBL1233444 |
| EC No. | 214-326-8 |
| DTXSID | DTXSID80149906 |
| Lokaler Name | o-Mercaptophenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| 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 | 20 °C |
| Siedepunkt | 40 °C |
| Dichte | 1.255 g/mL at 25 °C(lit.) |
| Brechungsindex | 1.606 |
| Flammpunkt | 97°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), DMSO, Methanol (Slightly) |
| pKa (Säurekonstante) | 6.80±0.43(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.220 |
| Farbe | Clear pale green to yellow |
| BRN | 1280884 |
| Stabilität | Unstable in Solution, Air Sensitive |
| InChI | 1S/C6H6OS/c7-5-3-1-2-4-6(5)8/h1-4,7-8H |
| InChIKey | VMKYTRPNOVFCGZ-UHFFFAOYSA-N |
| SMILES | Oc1ccccc1S |
| LogP (Verteilungskoeffizient) | 1.690 (est) |
| CAS Datenbank | 1121-24-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Mercaptophenol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29309090 |
| RTECS-Nr. | SL7375000 |
| R-Sätze (R) | 36/37/38-34-25-20/21/22 |
| Gefahrensymbole | Xi,T,Xn |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) | 23-36/37/39-45-26-36-7/9 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Irrit. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Hydroxythiophenol can be used to increase blood-free apoptosis inhibitor of macrophage (AIM)