HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluorphenol
3-Fluorphenol · m-Fluorohenol · 3-FLUOROPHENOL · M-FLUOROPHENOL · 3-Fluorophenole · 3-Fluoro Phennol · Phenol, m-fluoro- · Phenol, 3-fluoro-
Identifikatoren & physikalische Daten
| CAS No. | 372-20-3 |
|---|---|
| Summenformel | C6H5FO |
| Durchschnittliche Molmasse | 112,1 g/mol |
| Monoisotopische Masse | 112,032443 g/mol |
| SMILES | Oc1cccc(F)c1 |
| InChIKey | SJTBRFHBXDZMPS-UHFFFAOYSA-N |
| PubChem CID | 9743 |
| ChEMBL | CHEMBL57342 |
| EC No. | 206-748-6 |
| DTXSID | DTXSID70190684 |
| Lokaler Name | 3-Fluorphenol |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| Stoffklassen | Other Classes -> Phenols |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 1.82 |
| Dampfdruck | 1.19 [mmHg] |
| Physical Description | Colorless liquid with an odor like phenolmp = 12-14 deg C[Alfa Aesar MSDS] |
| Schmelzpunkt | 8-12 °C (lit.) |
| Siedepunkt | 178 °C (lit.) |
| Dichte | 1.238 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.514(lit.) |
| Flammpunkt | 160 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 9.29(at 25℃) |
| Wichte | 1.238 |
| Farbe | Clear colorless to light yellow-brownish |
| Löslichkeit | insoluble |
| BRN | 1904536 |
| Henry-Konstante | 9.0×100 mol/(m3Pa) at 25℃, Hilal et al. (2008) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, acid halides. |
| InChI | 1S/C6H5FO/c7-5-2-1-3-6(8)4-5/h1-4,8H |
| InChIKey | SJTBRFHBXDZMPS-UHFFFAOYSA-N |
| SMILES | Oc1cccc(F)c1 |
| CAS Datenbank | 372-20-3(CAS DataBase Reference) |
| NIST chemische Informationen | Phenol, 3-fluoro-(372-20-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (79.6%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 54 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 3-Fluorophenol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burnsInhalation may cause corrosive injuries to upper respiratory tract and lungsHarmful by ingestion and skin absorption[Alfa Aesar MSDS] See 2-Fluorophenol and Phenol. |
| Hazard Classes and Categories | Acute Tox. 3 (79.6%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29081000 |
| R-Sätze (R) | 20/21/22-36/37/38-41-37/38-25 |
| Gefahrensymbole | Xn,Xi,C,T |
| hazard_note | Harmful/Irritant |
| Sicherheitshinweise (S) | 28-36/37-36-26-45-39 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Fluorophenol is a reactant used in organic synthesis.