HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Brom-2-methoxybenzaldehyd
5-BROMO-2-METHOXYBENZALDEHYDE · 5-Bromo-2-(methoxy-d3)benzaldehyde · AKOS B005855 · AURORA KA-5723 · ASISCHEM R38855 · AKOS BBS-00003157 · 5-BROMO-2-ANISALDEHYDE · 5-BROMO-O-ANISALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 25016-01-7 |
|---|---|
| Summenformel | C8H7BrO2 |
| Durchschnittliche Molmasse | 215,04 g/mol |
| Monoisotopische Masse | 213,96294156 g/mol |
| SMILES | COc1ccc(Br)cc1C=O |
| InChIKey | IJIBRSFAXRFPPN-UHFFFAOYSA-N |
| PubChem CID | 90684 |
| EC No. | 246-564-3 |
| DTXSID | DTXSID10179716 |
| Lokaler Name | 5-Brom-2-methoxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 138 |
| Schmelzpunkt | 116-119 °C (lit.) |
| Siedepunkt | 252.95°C (rough estimate) |
| Dichte | 1.5313 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light yellow |
| BRN | 508840 |
| InChI | InChI=1S/C8H7BrO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-5H,1H3 |
| InChIKey | IJIBRSFAXRFPPN-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(Br)=CC=C1OC |
| CAS Datenbank | 25016-01-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (88.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Air-Sensitive |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
5-Bromo-2-methoxybenzaldehyde was used in the preparation of trans-5-bromo-2-methoxybenzylidenecyanoacetic acid.