HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Iophenoxic Acid
teridax · Jodoprol · Iophenoic · Tiloshade · Trilombrine · IophenoicAcid · IOPHENOXIC ACID · triiodoethionicacid
Identifikatoren & physikalische Daten
| CAS No. | 96-84-4 |
|---|---|
| Summenformel | C11H11I3O3 |
| Durchschnittliche Molmasse | 571,92 g/mol |
| Monoisotopische Masse | 571,7842 g/mol |
| SMILES | CCC(Cc1c(I)cc(I)c(O)c1I)C(=O)O |
| InChIKey | GOIQOQCNFWYSTQ-UHFFFAOYSA-N |
| PubChem CID | 7315 |
| ChEMBL | CHEMBL1551165 |
| ChEBI | CHEBI:135837 |
| EC No. | 625-411-8 |
| DTXSID | DTXSID1046265 |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 275 |
| Schmelzpunkt | 146-148 °C (lit.) |
| Siedepunkt | 459.0±45.0 °C(Predicted) |
| Dichte | 2.2890 (estimate) |
| pKa (Säurekonstante) | pKa 7.5(H2O,(extrap)) (Uncertain) |
| Aggregatzustand | solid |
| Merck | 13,5077 |
| InChI | 1S/C11H11I3O3/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5,15H,2-3H2,1H3,(H,16,17) |
| InChIKey | GOIQOQCNFWYSTQ-UHFFFAOYSA-N |
| SMILES | CCC(Cc1c(I)cc(I)c(O)c1I)C(O)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| RTECS-Nr. | MW5280000 |
| R-Sätze (R) | 22-36/37/38 |
| Toxizität | LD50 i.v. in mice: 374 mg/kg (Hoppe) |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
α-Ethyl-3-hydroxy-2,4,6-triiodohydrocinnamic acid (iophenoxic acid ) was used as marker in “bait acceptance” studies conducted on various animal species. It was used in the direct quantitation of iophenoxic acid in porcine serum samples by a liquid chromatographic-electrospray ionization mass spectrometric technique.