HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Fluoro-2-methylphenol
4-FLUORO-O-CRESOL · 4-Fluoro-2-methylphe · 4-Fluoro-o-cresol>4-Fluoro-o-methylphenol · 4-FLUORO-2-METHYLPHENOL · 2-METHYL-4-FLUOROPHENOL · 4-Fuoro-2-Methyl-phenol · 5-Fluoro-2-hydroxytoluene · 4-Fluoro-2-methylphenol99%
Identifikatoren & physikalische Daten
| CAS No. | 452-72-2 |
|---|---|
| Summenformel | C7H7FO |
| Durchschnittliche Molmasse | 126,13 g/mol |
| Monoisotopische Masse | 126,04809306 g/mol |
| SMILES | Cc1cc(F)ccc1O |
| InChIKey | GKQDDKKGDIVDAG-UHFFFAOYSA-N |
| PubChem CID | 136295 |
| ChEMBL | CHEMBL224550 |
| EC No. | 624-166-4 |
| DTXSID | DTXSID90196426 |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Schmelzpunkt | 37-38 °C (lit.) |
| Siedepunkt | 87 °C/14 mmHg (lit.) |
| Dichte | 1.1514 (estimate) |
| Brechungsindex | 1.5155-1.5175 |
| Flammpunkt | 185 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 10.32±0.18(Predicted) |
| Aggregatzustand | Low Melting Solid or Liquid |
| Farbe | Off-white to brownish |
| Löslichkeit | Insoluble in water. |
| BRN | 2041490 |
| Hauptanwendungen | environmental |
| InChI | InChI=1S/C7H7FO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3 |
| InChIKey | GKQDDKKGDIVDAG-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(F)C=C1C |
| CAS Datenbank | 452-72-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.3%): 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 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1325 4.1/PG 2 |
| Zollcode | 29081990 |
| R-Sätze (R) | 36/37/38-21/22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 8Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Fluoro-2-methylphenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.