HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Hydroxy-3,5-diiodbenzaldehyd
NSC 72943 · AKOS B028744 · 6-Fluoroacetophenone · Amiodarone Impurity 46 · 2,6-Diiodo-4-formylphenol · 4-Hydroxy-3,5-diiodbenzaldehyd · Levothyroxine Sodium Impurity f · 3,5-Diiodo-4-Hydroxybenzaldhyde
Identifikatoren & physikalische Daten
| CAS No. | 1948-40-9 |
|---|---|
| Summenformel | C7H4I2O2 |
| Durchschnittliche Molmasse | 373,91 g/mol |
| Monoisotopische Masse | 373,83007537 g/mol |
| SMILES | O=Cc1cc(I)c(O)c(I)c1 |
| InChIKey | WHLUEIMENHLCMY-UHFFFAOYSA-N |
| PubChem CID | 74760 |
| EC No. | 217-754-3 |
| DTXSID | DTXSID20173129 |
| Lokaler Name | 4-Hydroxy-3,5-diiodbenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 202-203°C |
| Siedepunkt | 284.1±40.0 °C(Predicted) |
| Dichte | 2.602±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C Freezer, Under Inert Atmosphere |
| Löslichkeit | Chloroform (Slightly, Sonicated), DMSO (Slightly)Insoluble in water. Sparingly soluble in chloroform and methanol. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 4.89±0.23(Predicted) |
| Farbe | White to Pale Yellow |
| BRN | 1283414 |
| InChI | InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H |
| InChIKey | WHLUEIMENHLCMY-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(I)=C(O)C(I)=C1 |
| CAS Datenbank | 1948-40-9(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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Benzaldehyde, 4-hydroxy-3,5-diiodo- |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Zollcode | 2913000090 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 26-36 |
Anwendungen & Verwendung
Verwenden
3,5-Diiodo-4-hydroxybenzaldehyde (cas# 1948-40-9) is a compound useful in organic synthesis.