HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
m-Fluorbenzolthiol
3-FLUOROBENZENETHIOL · 3-Fluorothiophenol · 3-Fluoro Thiphenole · M-FLUOROBENZENETHIOL · 3-Fluorothiophenol98% · 3-Fluorothiophenol 98% · 3-MERCAPTOFLUOROBENZENE · 3-fluorobenzene-1-thiol
Identifikatoren & physikalische Daten
| CAS No. | 2557-77-9 |
|---|---|
| Summenformel | C6H5FS |
| Durchschnittliche Molmasse | 128,17 g/mol |
| Monoisotopische Masse | 128,00959938 g/mol |
| SMILES | Fc1cccc(S)c1 |
| InChIKey | ZDEUGINAVLMAET-UHFFFAOYSA-N |
| PubChem CID | 75710 |
| EC No. | 219-876-2 |
| DTXSID | DTXSID10180261 |
| Lokaler Name | m-Fluorbenzolthiol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| 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) | 2.12 |
| Siedepunkt | 170 °C (lit.) |
| Dichte | 1.517 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.554 |
| Flammpunkt | 148 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 5.83±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| Wichte | 1.197 |
| BRN | 2039302 |
| InChI | 1S/C6H5FS/c7-5-2-1-3-6(8)4-5/h1-4,8H |
| InChIKey | ZDEUGINAVLMAET-UHFFFAOYSA-N |
| SMILES | Fc1cccc(S)c1 |
| CAS Datenbank | 2557-77-9(CAS DataBase Reference) |
| NIST chemische Informationen | M-fluorothiophenol(2557-77-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (14.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (14.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29309090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Stench |
| Sicherheitshinweise (S) | 26-36-36/37/39-27 |
| Gefahrenklasse | 3Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Fluorothiophenol was used in the synthesis of dibenzo[bc,fg]dithiapentalene.