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p-(Trifluormethoxy)phenol
4-(TRIFLUOROMETHOXY)PHENOL · TFMOPO · uoromethoxy)phenoL · TIMTEC-BB SBB006554 · p-Trifluoromethoxy p · 4-trifluoroMethoxylphenol · p-(Triflourmethoxy)phenol · P-(TRIFLUOROMETHOXY)PHENOL
Identifikatoren & physikalische Daten
| CAS No. | 828-27-3 |
|---|---|
| Summenformel | C7H5F3O2 |
| Durchschnittliche Molmasse | 178,11 g/mol |
| Monoisotopische Masse | 178,02416406 g/mol |
| SMILES | Oc1ccc(OC(F)(F)F)cc1 |
| InChIKey | WDRJNKMAZMEYOF-UHFFFAOYSA-N |
| PubChem CID | 70015 |
| ChEMBL | CHEMBL2326881 |
| EC No. | 212-583-0 |
| DTXSID | DTXSID60232002 |
| Lokaler Name | p-(Trifluormethoxy)phenol |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 138 |
| SpringerMaterials Properties | Chemical shift |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 17-18°C |
| Siedepunkt | 92 °C25 mm Hg(lit.) |
| Dichte | 1.375 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.447(lit.) |
| Flammpunkt | 187 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.30±0.13(Predicted) |
| Wichte | 1.375 |
| Farbe | Clear brown |
| BRN | 1945934 |
| InChI | 1S/C7H5F3O2/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4,11H |
| InChIKey | NWVVVBRKAWDGAB-UHFFFAOYSA-N |
| SMILES | Oc1ccc(OC(F)(F)F)cc1 |
| CAS Datenbank | 828-27-3(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 4-(trifluoromethoxy)-(828-27-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 41.6% (37 of 89) of reports.DangerH301 (10.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 89 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (10.1%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | 2927 |
| Zollcode | 29095090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-27-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralAquatic Chronic 3Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals