HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-(Trifluoromethoxy)phenol
3-trifluoroMethoxylphenol · 3-(Tifluoromethoxy)phenol · 3-(TRIFLUOROMETHOXY)PHENOL · M-(TRIFLUOROMETHOXY)PHENOL · Phenol,3-(trifluoromethoxy)- · Inter- Trifluoro Methyphenols · 3-(Trifluoromethoxy)phenol98% · 3-(Trifluoromethoxy)phenol 98%
Identifikatoren & physikalische Daten
| CAS No. | 827-99-6 |
|---|---|
| Summenformel | C7H5F3O2 |
| Durchschnittliche Molmasse | 178,11 g/mol |
| Monoisotopische Masse | 178,02416406 g/mol |
| SMILES | Oc1cccc(OC(F)(F)F)c1 |
| InChIKey | UWLJERQTLRORJN-UHFFFAOYSA-N |
| PubChem CID | 2733261 |
| EC No. | 624-668-3 |
| DTXSID | DTXSID90369815 |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 146 |
| Siedepunkt | 69-70 °C12 mm Hg(lit.) |
| Dichte | 1.379 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.446(lit.) |
| Flammpunkt | 184 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 8.83±0.10(Predicted) |
| Wichte | 1.379 |
| Farbe | Clear colorless to yellow |
| BRN | 1868036 |
| CAS Datenbank | 827-99-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (87.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (87.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2927 |
| Zollcode | 29095000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-27-36/37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
3-(Trifluoromethoxy)phenol (cas# 827-99-6) is a compound useful in organic synthesis.