HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-(Phenylthio)benzyl alcohol
NSC 43060 · (4-(Phenylthio) · Einecs 228-658-6 · p-(phenylthio)benzyl alcohol · 4-(Phenylthio)benzenemethanol · 4-(Phenylthio)Benzyl Chloride · parabenzenethioylbenzenemethylol · Benzenemethanol, 4-(phenylthio)-
Identifikatoren & physikalische Daten
| CAS No. | 6317-56-2 |
|---|---|
| Summenformel | C13H12OS |
| Durchschnittliche Molmasse | 216,3 g/mol |
| Monoisotopische Masse | 216,06088618 g/mol |
| SMILES | OCc1ccc(Sc2ccccc2)cc1 |
| InChIKey | PGOAWMRWDZJQTB-UHFFFAOYSA-N |
| PubChem CID | 80593 |
| EC No. | 228-658-6 |
| DTXSID | DTXSID10212511 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 169 |
| Schmelzpunkt | 46-48°C |
| Siedepunkt | 390.2±25.0 °C(Predicted) |
| Dichte | 1.21±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Store in freezer, under -20°C |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 14.26±0.10(Predicted) |
| Farbe | Pale Beige to Light Beige |
| InChI | InChI=1S/C13H12OS/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2 |
| InChIKey | PGOAWMRWDZJQTB-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=C(SC2=CC=CC=C2)C=C1 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (33.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%)Skin Irrit. 2 (33.3%)Eye Irrit. 2A (33.3%)STOT SE 3 (33.3%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
An impurity of Fenticonazole nitrate (F279250), a new potent antimycotic compound.