HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluorbenzylalkohol
(3-Fluorophenyl)methanol · RARECHEM AL BD 0054 · 3-Fluorobenzyl alcoh · FLUOROBENZYL ALCOHOL · 3-FLUOROBENZYL ALCOHOL · M-FLUOROBENZYL ALCOHOL · 3-Fluorobenzenemethanol · META-FLUOROBENZYLALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 456-47-3 |
|---|---|
| Summenformel | C7H7FO |
| Durchschnittliche Molmasse | 126,13 g/mol |
| Monoisotopische Masse | 126,04809306 g/mol |
| SMILES | OCc1cccc(F)c1 |
| InChIKey | QDHRSLFSDGCJFX-UHFFFAOYSA-N |
| PubChem CID | 68008 |
| ChEBI | CHEBI:156103 |
| EC No. | 207-265-3 |
| DTXSID | DTXSID30196566 |
| Lokaler Name | 3-Fluorbenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Schmelzpunkt | 115-119 °C |
| Siedepunkt | 104-105 °C/22 mmHg (lit.) |
| Dichte | 1.164 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.513(lit.) |
| Flammpunkt | 195 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 14.09±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.164 |
| Farbe | Clear colorless |
| BRN | 2242511 |
| InChI | 1S/C7H7FO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | QDHRSLFSDGCJFX-UHFFFAOYSA-N |
| SMILES | OCc1cccc(F)c1 |
| CAS Datenbank | 456-47-3(CAS DataBase Reference) |
| NIST chemische Informationen | Benzenemethanol, 3-fluoro-(456-47-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): 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 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Benzenemethanol, 3-fluoro-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062900 |
| R-Sätze (R) | 14-34-36/37 |
| Gefahrensymbole | Xi,C |
| Sicherheitshinweise (S) | 24/25-45-36/37/39-27-26 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Fluorobenzyl alcohol was used as substrate to study pH dependence of aryl-alcohol oxidase activity.