HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoro-4-methylphenol
3-FLUORO-P-CRESOL · 3-Fluoro-p-cresol>3-FLUORO-4-METHYLPHENOL · 3-Fluoro-p-cresol (OH=1) · 2-Fluoro-4-hydroxytoluene · Phenol, 3-fluoro-4-methyl- · 3-Fluoro-4-methylphenol, JRD,
Identifikatoren & physikalische Daten
| CAS No. | 452-78-8 |
|---|---|
| Summenformel | C7H7FO |
| Durchschnittliche Molmasse | 126,13 g/mol |
| Monoisotopische Masse | 126,04809306 g/mol |
| SMILES | Cc1ccc(O)cc1F |
| InChIKey | GJOOCAXPERKNMN-UHFFFAOYSA-N |
| PubChem CID | 2774613 |
| EC No. | 610-235-6 |
| DTXSID | DTXSID60379128 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| 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 | 72 °C |
| Siedepunkt | 196 °C |
| Dichte | 1.17 |
| Brechungsindex | 1.5150 |
| Flammpunkt | 29 °C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to lump |
| pKa (Säurekonstante) | 9.27±0.18(Predicted) |
| Farbe | White to Light yellow to Light orange |
| Geruch | Phenol-like |
| InChI | InChI=1S/C7H7FO/c1-5-2-3-6(9)4-7(5)8/h2-4,9H,1H3 |
| InChIKey | GJOOCAXPERKNMN-UHFFFAOYSA-N |
| SMILES | C1(O)=CC=C(C)C(F)=C1 |
| CAS Datenbank | 452-78-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH227 (12.5%): Combustible liquid [Warning Flammable liquids]P210, P260, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (12.5%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| UN-Transportnummer | 2922 |
| Zollcode | 29081990 |
| R-Sätze (R) | 21/22-34-52-36-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39-60-45 |
| Gefahrenklasse | 8Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Fluoro-4-methylphenol is a phenolic derivative and can be used as a pharmaceutical intermediate.