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Methyl 2-(bromomethyl)-4-methoxybenzoate
NISTC15365250 · 2-bromethyl-4-methoxymethyl benzoate · METHYL 2-BROMOMETHYL-4-METHOXY-BENZOATE · p-Anisic acid, 2-bromomethyl-, methyl ester · 2-BROMOMETHYL-4-METHOXYBENZOICACID,METHYLESTER · Benzoic acid, 2-(broMoMethyl)-4-Methoxy-, Methyl ester
Identifikatoren & physikalische Daten
| CAS No. | 15365-25-0 |
|---|---|
| Summenformel | C10H11BrO3 |
| Durchschnittliche Molmasse | 259,1 g/mol |
| Monoisotopische Masse | 257,98915631 g/mol |
| SMILES | COC(=O)c1ccc(OC)cc1CBr |
| InChIKey | KXENUXLNAPNGAC-UHFFFAOYSA-N |
| PubChem CID | 139928 |
| EC No. | 888-547-9 |
| DTXSID | DTXSID20165387 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 196 |
| Schmelzpunkt | 51 °C |
| Siedepunkt | 350.4±32.0 °C(Predicted) |
| Dichte | 1.432±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|
Anwendungen & Verwendung
Verwenden
Methyl 2-(bromomethyl)-4-methoxybenzoate