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3,5-Dimethoxybenzaldehyd
BENZALDEHYDE, 3,5-DIMETHOXY- · 311-34-4 · 3,5-Dimetho · 3,5-DimethoxybenzaL · 3,5-Dimethoxybenzald · 3,5-Dimethoxybenzaldehye · 3,5-dimethoxybenzaldehdye · 3,5-Dimethoxybenzeldehyde
Identifikatoren & physikalische Daten
| CAS No. | 7311-34-4 |
|---|---|
| Summenformel | C9H10O3 |
| Durchschnittliche Molmasse | 166,17 g/mol |
| Monoisotopische Masse | 166,06299418 g/mol |
| SMILES | COc1cc(C=O)cc(OC)c1 |
| InChIKey | VFZRZRDOXPRTSC-UHFFFAOYSA-N |
| PubChem CID | 81747 |
| ChEMBL | CHEMBL234037 |
| ChEBI | CHEBI:173755 |
| EC No. | 230-772-6 |
| DTXSID | DTXSID50223388 |
| Lokaler Name | 3,5-Dimethoxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 135 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 45-48 °C (lit.) |
| Siedepunkt | 151 °C/16 mmHg (lit.) |
| Dichte | 1.1708 (rough estimate) |
| Brechungsindex | 1.5260 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly)insoluble |
| Aggregatzustand | Crystalline Solid |
| Farbe | White to beige |
| BRN | 2042374 |
| InChI | 1S/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H3 |
| InChIKey | VFZRZRDOXPRTSC-UHFFFAOYSA-N |
| SMILES | [H]C(=O)c1cc(OC)cc(OC)c1 |
| LogP (Verteilungskoeffizient) | 1.530 (est) |
| CAS Datenbank | 7311-34-4(CAS DataBase Reference) |
| NIST chemische Informationen | 3,5-dimethoxybenzaldehyde(7311-34-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 3,5-dimethoxy-Benzaldehyde, 3,5-dimethoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| F | 9 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
3,5-Dimethoxybenzaldehyde is an important raw material for chemical production and can be used for the synthesis of other organic compounds such as 3,5-Dimethoxybenzonitrile, 3,5-Dimethoxybenzylamine and 3,5-Dihydroxybenzaldehyde.
Verwenden
3,5-Dimethoxybenzaldehyde is used frequently as synthetic building block. 3,5-Dimethoxybenzaldehyde, is a benzaldehyde derivative, that can be used as a building block in the synthesis of more complex structures.