HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Pentafluorothio)phenol
3-(PENTAFLUOROTHIO)PHENOL · 3-Pentafluorosulfur phenol · 3-(PENTAFLUOROSULFANYL)PHENOL · 3-Hydroxyphenylsulphurpentafluoride · 3-HYDROXYPHENYLSULFUR PENTAFLUORIDE · PENTAFLUORO-(3-HYDROXYPHENYL)-SULFUR · 3-hydroxy(pentafluorosulfanyl)benzene · 3-(pentafluoro-$l^{6}-sulfanyl)phenol
Identifikatoren & physikalische Daten
| CAS No. | 672-31-1 |
|---|---|
| Summenformel | C6H5F5OS |
| Durchschnittliche Molmasse | 220,16 g/mol |
| Monoisotopische Masse | 219,99812688 g/mol |
| SMILES | Oc1cccc(S(F)(F)(F)(F)F)c1 |
| InChIKey | KVOACEHJTNSNBD-UHFFFAOYSA-N |
| PubChem CID | 2779201 |
| EC No. | 691-575-2 |
| DTXSID | DTXSID10381317 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 21,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 208 |
| Schmelzpunkt | 66.5 °C |
| Siedepunkt | 81.5 °C(Press: 3.0 Torr) |
| pKa (Säurekonstante) | 8.56±0.10(Predicted) |
| Aggregatzustand | solid |
| Farbe | Light orange |
| CAS Datenbank | 672-31-1 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301+H311+H331 (66.7%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (33.3%) |
| Zollcode | 2930909899 |
| Gefahrensymbole | T |
| hazard_note | Irritant |
Anwendungen & Verwendung
Verwenden
3-(Pentafluorosulfanyl)Phenol is used in preparation of Pyrimidine compounds for treatment and/or diagnosis of seizure.