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5-Iodsalicylsure
2-HYDROXY-5-IODOBENZOIC ACID · 5-Iodosalicylic · 5-iodo-salicylicaci · RARECHEM AL BE 0824 · 5-IODOSALICYLIC ACID · 5-lodosalicylic acid · 5-iodinsalicylic acid · LABOTEST-BB LT00454718
Identifikatoren & physikalische Daten
| CAS No. | 119-30-2 |
|---|---|
| Summenformel | C7H5IO3 |
| Durchschnittliche Molmasse | 264,02 g/mol |
| Monoisotopische Masse | 263,92834202 g/mol |
| SMILES | O=C(O)c1cc(I)ccc1O |
| InChIKey | SWDNKOFGNPGRPI-UHFFFAOYSA-N |
| PubChem CID | 8388 |
| ChEMBL | CHEMBL3278559 |
| EC No. | 204-313-5 |
| DTXSID | DTXSID10152281 |
| Lokaler Name | 5-Iodsalicylsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 160 |
| LogP (Verteilungskoeffizient) | 2.63 |
| Schmelzpunkt | 189-191 °C (lit.) |
| Siedepunkt | 371.4±37.0 °C(Predicted) |
| Dichte | 1.9394 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Solubility in methanol is almost transparent. |
| pKa (Säurekonstante) | 2.67±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to slightly beige |
| BRN | 2090443 |
| Stabilität | Stable under recommended storage conditions., Stable Under Recommended Storage C |
| InChI | InChI=1S/C7H5IO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11) |
| InChIKey | SWDNKOFGNPGRPI-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC(I)=CC=C1O |
| CAS Datenbank | 119-30-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.3%): 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 59 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (98.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29182990 |
| RTECS-Nr. | VO4200000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2-hydroxy-5-iodobenzoic acid is a reagent in various organic chemical reactions leading to pharmaceutical compounds. It is involved in the synthesis of labeled benzamide analogs for tumor imaging as well as the synthesis of the dye, Congo Red, for biological analyses.