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α,α,α-Trifluor-2-iodtoluol
1-IODO-2-(TRIFLUOROMETHYL)BENZENE · 2-IodobenzotrifL · iodobenzotrifluoride · 2-Iodobenztrifluoride · 2-IODOBENZOTRIFLUORIDE · o-iodotrifluorotoluene · O-IODOBENZOTRIFLUORIDE · O-IODINE TRIFLUORO TOLUENE
Identifikatoren & physikalische Daten
| CAS No. | 444-29-1 |
|---|---|
| Summenformel | C7H4F3I |
| Durchschnittliche Molmasse | 272,01 g/mol |
| Monoisotopische Masse | 271,93098279 g/mol |
| SMILES | FC(F)(F)c1ccccc1I |
| InChIKey | IGZGUYVVBABKOY-UHFFFAOYSA-N |
| PubChem CID | 67957 |
| EC No. | 207-147-1 |
| DTXSID | DTXSID6059998 |
| Lokaler Name | α,α,α-Trifluor-2-iodtoluol |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 132 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Siedepunkt | 197-198 °C750 mm Hg(lit.) |
| Dichte | 1.939 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.531(lit.) |
| Flammpunkt | 178 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.939 |
| Farbe | Clear light yellow |
| Löslichkeit | insoluble |
| BRN | 2090038 |
| CAS Datenbank | 444-29-1(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-iodo-2-(trifluoromethyl)-(444-29-1) |
| EPA chemische Informationen | 2-Iodobenzotrifluoride (444-29-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (85.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (85.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29039990 |
| R-Sätze (R) | 34-36/37/38 |
| Gefahrensymbole | C,T,Xi |
| hazard_note | Toxic/Irritant |
| Sicherheitshinweise (S) | 26-27-36/37/39-45-37/39 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-Iodobenzotrifluoride acts as a reagent in the preparation, cyclooxygenase-1 inhibitory activity, and docking studies of aminoalkoxyphenylbenzamides. Prepartion and SAR of tricyclic 4,4-dimethyl-3,4-dihydrochromeno[3,4-d]imidazole derivatives as microsomal prostaglandin E2 synthase-1 (mPGES-1) inhibitors.