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2,5-Difluorophenol
5-Difluorophenol · 2,5-Difluorphenol · 2,5-DIFLUOROPHENOL · Phenol,2,5-difluoro- · 2,5-Difluorophenol>2,5-Difluorophenol,96% · 2,5-Difluorophenol 97% · 2,5-Difluorophenol,97% · 2,5-Difluorophenol,98%
Identifikatoren & physikalische Daten
| CAS No. | 2713-31-7 |
|---|---|
| Summenformel | C6H4F2O |
| Durchschnittliche Molmasse | 130,09 g/mol |
| Monoisotopische Masse | 130,02302119 g/mol |
| SMILES | Oc1cc(F)ccc1F |
| InChIKey | INXKVYFOWNAVMU-UHFFFAOYSA-N |
| PubChem CID | 94952 |
| ChEMBL | CHEMBL261219 |
| EC No. | 608-045-3 |
| DTXSID | DTXSID90181594 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 97,1 |
| Schmelzpunkt | 40-42 °C (lit.) |
| Siedepunkt | 145 °C |
| Dichte | 1.2483 (estimate) |
| Flammpunkt | 128 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| pKa (Säurekonstante) | 7.71±0.10(Predicted) |
| Aggregatzustand | powder to lump |
| Farbe | White to Almost white |
| Löslichkeit | slightly soluble |
| BRN | 2081076 |
| InChI | InChI=1S/C6H4F2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H |
| InChIKey | INXKVYFOWNAVMU-UHFFFAOYSA-N |
| SMILES | C1(O)=CC(F)=CC=C1F |
| CAS Datenbank | 2713-31-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2,5-Difluorophenol(2713-31-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (100%): Flammable solid [Danger Flammable solids]P210, P240, P241, 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, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Sol. 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29329970 |
| R-Sätze (R) | 10-20/21/22-36/37/38-34-11 |
| Gefahrensymbole | Xn,Xi,C,F |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 16-26-36/37-45-36/37/39-36 |
| Gefahrenklasse | 4.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Sol. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
2,5-Difluorophenol has been used in the synthesis of di- or trifluorinated hydroxybenzoic acids.