HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methoxybenzyl bromide
1-(BROMOMETHYL)-4-METHOXYBENZENE · PMBBR · 4-methoxybromobenzyl · 4-Methoxybenzyl brom · p-Methoxybenzylbromide · 4-(Bromomethyl)anisole · p-(Bromomethyl)anisole · 4-METHOXYBENZYL BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 2746-25-0 |
|---|---|
| Summenformel | C8H9BrO |
| Durchschnittliche Molmasse | 201,06 g/mol |
| Monoisotopische Masse | 199,98367701 g/mol |
| SMILES | COc1ccc(CBr)cc1 |
| InChIKey | GIGRWGTZFONRKA-UHFFFAOYSA-N |
| PubChem CID | 165021 |
| EC No. | 608-101-7 |
| DTXSID | DTXSID50181878 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 87,3 |
| Schmelzpunkt | 240 °C |
| Siedepunkt | 91 °C1 mm Hg(lit.) |
| Dichte | 1.379 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.5780(lit.) |
| Flammpunkt | >230 °F |
| Aggregatzustand | liquid |
| Farbe | Faintly hazy, faint yellow |
| InChI | InChI=1S/C8H9BrO/c1-10-8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3 |
| InChIKey | GIGRWGTZFONRKA-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC=C(OC)C=C1 |
| CAS Datenbank | 2746-25-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29093090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8 |
Anwendungen & Verwendung
Verwenden
4-Methoxybenzyl Bromide is a useful reactant in studying diarylpyrazoles as cyclooxygenase 2 inhibitors.