HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Bromo-4-methylphenol
3-Bromo-p-cresol · 3-Bromo-4-methylphenol · Phenol,3-bromo-4-methyl- · 2-Bromo-4-hydroxytoluene · 2-Bromo-4-hydroxytoluene, 3-Bromo-p-cresol
Identifikatoren & physikalische Daten
| CAS No. | 60710-39-6 |
|---|---|
| Summenformel | C7H7BrO |
| Durchschnittliche Molmasse | 187,03 g/mol |
| Monoisotopische Masse | 185,96802694 g/mol |
| SMILES | Cc1ccc(O)cc1Br |
| InChIKey | GMZKNRDHSHYMHG-UHFFFAOYSA-N |
| PubChem CID | 10307913 |
| EC No. | 677-834-2 |
| DTXSID | DTXSID90437886 |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 94,9 |
| Schmelzpunkt | 54-57°C |
| Siedepunkt | 244.6±20.0℃ (760 Torr) |
| Dichte | 1.554±0.06 g/cm3 (20 ºC 760 Torr) |
| Brechungsindex | 1.5772 (estimate) |
| Flammpunkt | 101.7±21.8℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Slightly soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 9.30±0.18(Predicted) |
| Farbe | Light Yellow to Yellow |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 8 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2908190090 |
Anwendungen & Verwendung
Verwenden
It is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.