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2,4,6-Triiodphenol
bobel24 · 2,4,6-Trijodfenol · 2,4,6-Triiodopheno · 2,4,6-Triiodophenol · Phenol, 2,4,6-triiodo- · 2,4,6-Triiodophenol 97% · 2,4,6-Triiodophenol >2,4,6-Triiodophenol, 98+% · 609-23-4--2,4,6-Triiodophenol
Identifikatoren & physikalische Daten
| CAS No. | 609-23-4 |
|---|---|
| Summenformel | C6H3I3O |
| Durchschnittliche Molmasse | 471,8 g/mol |
| Monoisotopische Masse | 471,73180872 g/mol |
| SMILES | Oc1c(I)cc(I)cc1I |
| InChIKey | VAPDZNUFNKUROY-UHFFFAOYSA-N |
| PubChem CID | 11862 |
| ChEMBL | CHEMBL81721 |
| EC No. | 210-186-7 |
| DTXSID | DTXSID8022080 |
| Lokaler Name | 2,4,6-Triiodphenol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 108 |
| LogP (Verteilungskoeffizient) | 4.5 |
| Collision Cross Section | 139.5 Ų [M]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID8022080] |
| Schmelzpunkt | 157-159 °C (lit.) |
| Siedepunkt | 316.3±42.0 °C(Predicted) |
| Dichte | 2.8493 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO : 250 mg/mL (529.89 mMNeed ultrasonic)Insoluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 6.47±0.23(Predicted) |
| Farbe | White to Light gray |
| BRN | 2046861 |
| InChI | 1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H |
| InChIKey | VAPDZNUFNKUROY-UHFFFAOYSA-N |
| SMILES | Oc1c(I)cc(I)cc1I |
| CAS Datenbank | 609-23-4(CAS DataBase Reference) |
| NIST chemische Informationen | 2,4,6-Triiodophenol(609-23-4) |
| EPA chemische Informationen | Phenol, 2,4,6-triiodo- (609-23-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.WarningH302 (14.6%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29081900 |
| RTECS-Nr. | SN2800000 |
| R-Sätze (R) | 20/21/22-36/37/38-20/21 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 DermalEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
2,4,6-Triiodophenol is used as an iodinated disinfection by product formed during chlorination of sewage effluents. It is also used as a potent thyroid disrupting chemical and to investigate deiodinase.