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3,5-Difluorophenol
3,5-Diflourophenol · 3,5-DIFLUOROPHENOL · Phenol,3,5-difluoro- · Tegoprazan Impurity 7 · 3,5-Difluorophenol>3,5-Difluorophenol99% · 3,5-Difluorophenol 99% · 3,5-Difluorophenol,98+% · 3,5-Difluorophenol (ACI)
Identifikatoren & physikalische Daten
| CAS No. | 2713-34-0 |
|---|---|
| Summenformel | C6H4F2O |
| Durchschnittliche Molmasse | 130,09 g/mol |
| Monoisotopische Masse | 130,02302119 g/mol |
| SMILES | Oc1cc(F)cc(F)c1 |
| InChIKey | HJSSBIMVTMYKPD-UHFFFAOYSA-N |
| PubChem CID | 75928 |
| ChEMBL | CHEMBL259068 |
| EC No. | 608-047-4 |
| DTXSID | DTXSID10181596 |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 87,1 |
| Schmelzpunkt | 54-57 °C (lit.) |
| Siedepunkt | 65-68°C 1mm |
| Dichte | 1.2483 (estimate) |
| Flammpunkt | 159 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | ethanol: soluble50, clear, colorless to faint yellow or tan (mg/mL) |
| pKa (Säurekonstante) | 7.97±0.10(Predicted) |
| Aggregatzustand | Crystals |
| Farbe | White to beige |
| BRN | 2078616 |
| InChI | InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H |
| InChIKey | HJSSBIMVTMYKPD-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(F)=CC(F)=C1 |
| CAS Datenbank | 2713-34-0(CAS DataBase Reference) |
| NIST chemische Informationen | 3,5-Difluorophenol(2713-34-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.9%): 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 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29081000 |
| R-Sätze (R) | 20/21/22-36/37/38-34-11 |
| Gefahrensymbole | Xn,Xi,C,F |
| hazard_note | Harmful |
| Sicherheitshinweise (S) | 26-36-45-36/37/39-16 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
3,5-Difluorophenol is an important medicine, pesticide, and liquid crystal material intermediate, mainly used in the synthesis of liquid crystal materials and antifungal agents, and also used in the synthesis of dyes, plastics and rubber additives.