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2,6-Difluorbenzylalkohol
2,6-Difluorobenzyl · 2,6-Difluorbenzyl · RufimideImpurity10 · RARECHEM AL BD 0212 · 2,6-Difluorobenzyl a · Lufeamide Impurity 9 · Rufinamide Impurity 9 · 2,6-Difluorbenzylalkohol
Identifikatoren & physikalische Daten
| CAS No. | 19064-18-7 |
|---|---|
| Summenformel | C7H6F2O |
| Durchschnittliche Molmasse | 144,12 g/mol |
| Monoisotopische Masse | 144,03867125 g/mol |
| SMILES | OCc1c(F)cccc1F |
| InChIKey | LVICICZQETYOGS-UHFFFAOYSA-N |
| PubChem CID | 87921 |
| EC No. | 242-792-2 |
| DTXSID | DTXSID40172558 |
| Lokaler Name | 2,6-Difluorbenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 97,8 |
| LogP (Verteilungskoeffizient) | 1.12 |
| Schmelzpunkt | 168.5-169 °C |
| Siedepunkt | 88 °C |
| Dichte | 1.3 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.495(lit.) |
| Flammpunkt | 192 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 13.41±0.10(Predicted) |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.300 |
| Löslichkeit | Not miscible or difficult to mix in water. |
| BRN | 2501536 |
| InChI | InChI=1S/C7H6F2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2 |
| InChIKey | LVICICZQETYOGS-UHFFFAOYSA-N |
| SMILES | C1(CO)=C(F)C=CC=C1F |
| CAS Datenbank | 19064-18-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2,6-Difluorobenzyl alcohol(19064-18-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (38.9%): 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 18 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzenemethanol, 2,6-difluoro-Status: Active Update: 10-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/19406 |
| Hazard Classes and Categories | Acute Tox. 4 (38.9%) |
| Wassergefährdungsklasse (WGK) | 1 |
| Zollcode | 2906290090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
2,6-Difluorobenzyl alcohol is used to get 2-(bromomethyl)-1,3-difluorobenzene.