HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-5-fluorobenzyl alcohol
(2-Bromo-5-fluorophenyl)methanol · CAS:202865-66-5 · BUTTPARK 87\01-69 · RARECHEM AL BD 0749 · Tavaborole Intermediate · Tavaborole Alcohol impurity · 2-Ethoxy-4-fluorobromobenzene · 2-BROMO-5-FLUOROBENZYL ALCOHOL
Identifikatoren & physikalische Daten
| CAS No. | 202865-66-5 |
|---|---|
| Summenformel | C7H6BrFO |
| Durchschnittliche Molmasse | 205,02 g/mol |
| Monoisotopische Masse | 203,95860513 g/mol |
| SMILES | OCc1cc(F)ccc1Br |
| InChIKey | HXGZPMHPSBJMKB-UHFFFAOYSA-N |
| PubChem CID | 2773349 |
| EC No. | 606-492-9 |
| DTXSID | DTXSID00378397 |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 110 |
| Schmelzpunkt | 91-94 °C |
| Siedepunkt | 252.5±25.0 °C(Predicted) |
| Dichte | 1.658±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 13.67±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Yellow |
| Löslichkeit | Slightly soluble in water. |
| InChI | InChI=1S/C7H6BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2 |
| InChIKey | HXGZPMHPSBJMKB-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC(F)=CC=C1Br |
| CAS Datenbank | 202865-66-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Cease Manufacture Update: 23-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17766 |
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2906290090 |
| R-Sätze (R) | 36/37/38-36-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
2-Bromo-5-fluorobenzyl alcohol is used as intermediates in pharmaceutical and organic synthesis.