HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Iodo-4,5-dimethoxybenzaldehyde
AKOS B005529 · ASISCHEM R24517 · 5-iodoveratraldehyde · 3-IODO-4,5-DIMETHOXYBENZALDEHYDE · 4,5-DIMETHOXY-3-IODOBENZALDEHYDE · Benzaldehyde, 3-iodo-4,5-dimethoxy- · 4,5-Dimethoxy-3-iodobenzaldehyde-98% · 3-Iodo-4,5-dimethoxybenzaldehyde~5-Iodoveratraldehyde
Identifikatoren & physikalische Daten
| CAS No. | 32024-15-0 |
|---|---|
| Summenformel | C9H9IO3 |
| Durchschnittliche Molmasse | 292,07 g/mol |
| Monoisotopische Masse | 291,95964215 g/mol |
| SMILES | COc1cc(C=O)cc(I)c1OC |
| InChIKey | MVPNBXPAUYYZAF-UHFFFAOYSA-N |
| PubChem CID | 2778113 |
| ChEMBL | CHEMBL566026 |
| EC No. | 626-583-7 |
| DTXSID | DTXSID60380779 |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 174 |
| Schmelzpunkt | 69-72 °C (lit.) |
| Siedepunkt | 134-137 °C(Press: 0.8 Torr) |
| Dichte | 1.706±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| BRN | 1961757 |
| InChI | 1S/C9H9IO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3 |
| InChIKey | MVPNBXPAUYYZAF-UHFFFAOYSA-N |
| SMILES | COc1cc(C=O)cc(I)c1OC |
| CAS Datenbank | 32024-15-0(CAS DataBase Reference) |
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2913000090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Iodo-4,5-dimethoxybenzaldehyde was used in the preparation of 3-iodo-4,4′,5-trimethoxy-3′-O-tert-butyldiphenylsilyl-Z-stilbene and 3-iodo-4,4′,5-trimethoxy-3′-O-tert-butyldiphenylsilyl-E-stilbene. It may be used for the synthesis of chloropeptin I and chloropeptin II.