HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Fluorothiophenol
2-FLUOROBENZENETHIOL · Fluorothiophenol · o-fluorothiophenol · 2-Fluorothiphenole · 2-FLUOROTHIOPHENOL · o-Fluoro Thiophenol · O-FLUOROBENZENETHIOL · 2-Fluorothiophenol98%
Identifikatoren & physikalische Daten
| CAS No. | 2557-78-0 |
|---|---|
| Summenformel | C6H5FS |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,00959938 g/mol |
| SMILES | Fc1ccccc1S |
| InChIKey | WJTZZPVVTSDNJJ-UHFFFAOYSA-N |
| PubChem CID | 520216 |
| EC No. | 628-769-3 |
| DTXSID | DTXSID70334283 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 1 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| LogP (Verteilungskoeffizient) | 1.9 |
| Siedepunkt | 61-62 °C/35 mmHg (lit.) |
| Dichte | 1.2 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.557(lit.) |
| Flammpunkt | 118 °F |
| Lagerbedingungen | 2-8°C |
| pKa (Säurekonstante) | 6.00±0.43(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.20 |
| BRN | 2039768 |
| InChI | 1S/C6H5FS/c7-5-3-1-2-4-6(5)8/h1-4,8H |
| InChIKey | WJTZZPVVTSDNJJ-UHFFFAOYSA-N |
| SMILES | Fc1ccccc1S |
| CAS Datenbank | 2557-78-0(CAS DataBase Reference) |
| NIST chemische Informationen | O-fluorothiophenol(2557-78-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 29309090 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi,T |
| hazard_note | Irritant/Stench |
| Sicherheitshinweise (S) | 16-26-36-36/37/39-27 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Fluorothiophenol was used in the synthesis of 2-bromo-2′-fluorodiphenyl sulfide.