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3,4-Difluorophenol
3,4-Difluoropheno · LUBE-001 · 3,4-2-fluorophenol · 3,4-DIFLUOROPHENOL · Phenol, 3,4-difluoro- · 3,4-Difluorophenol>3,4-Difluorophenol99% · 3,4-Difluorophenol,98% · 3,4-Difluorophenol, 97+%
Identifikatoren & physikalische Daten
| CAS No. | 2713-33-9 |
|---|---|
| Summenformel | C6H4F2O |
| Durchschnittliche Molmasse | 130,09 g/mol |
| Monoisotopische Masse | 130,02302119 g/mol |
| SMILES | Oc1ccc(F)c(F)c1 |
| InChIKey | BNPWVUJOPCGHIK-UHFFFAOYSA-N |
| PubChem CID | 75927 |
| EC No. | 424-300-1 |
| DTXSID | DTXSID50181595 |
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 | 34-38 °C (lit.) |
| Siedepunkt | 85 °C/20 mmHg (lit.) |
| Dichte | 1.2483 (estimate) |
| Flammpunkt | 136 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | low melting fused solid |
| pKa (Säurekonstante) | 8.98±0.18(Predicted) |
| Farbe | off white |
| BRN | 2081085 |
| InChI | InChI=1S/C6H4F2O/c7-5-2-1-4(9)3-6(5)8/h1-3,9H |
| InChIKey | BNPWVUJOPCGHIK-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(F)C(F)=C1 |
| CAS Datenbank | 2713-33-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (100%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3944 |
| Hazard Classes and Categories | Flam. Sol. 1 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29081000 |
| R-Sätze (R) | 36/37/38-34-20/21/22-11-21/22 |
| Gefahrensymbole | Xi,F,C,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-45-36/37/39-16 |
| Gefahrenklasse | 4.1Acute Tox. 4 DermalAcute Tox. 4 OralEye Dam. 1Flam. Sol. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals