HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Fluoriodobenzol
3-FLUOROIODOBENZENE · m-Fluorobenzene · 3-Fluoriodobenzol · M-FLUOROIODOBENZENE · 3-Iodofluorobenzene · m-Iodofluorobenzene · 3- Fluoriodobenzene · 1-fluoro-3-iodo-benzen
Identifikatoren & physikalische Daten
| CAS No. | 1121-86-4 |
|---|---|
| Summenformel | C6H4FI |
| Durchschnittliche Molmasse | 222 g/mol |
| Monoisotopische Masse | 221,93417635 g/mol |
| SMILES | Fc1cccc(I)c1 |
| InChIKey | VSKSBSORLCDRHS-UHFFFAOYSA-N |
| PubChem CID | 70725 |
| EC No. | 214-339-9 |
| DTXSID | DTXSID1061524 |
| Lokaler Name | 3-Fluoriodobenzol |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 74,9 |
| SpringerMaterials Properties | Dielectric constant |
| Schmelzpunkt | -42°C |
| Siedepunkt | 77-78 °C/19 mmHg (lit.) |
| Dichte | 1.89 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.584(lit.) |
| Flammpunkt | 153 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.890 |
| Farbe | Clear yellow or pink |
| BRN | 2039305 |
| InChI | 1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H |
| InChIKey | VSKSBSORLCDRHS-UHFFFAOYSA-N |
| SMILES | Fc1cccc(I)c1 |
| CAS Datenbank | 1121-86-4(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-fluoro-3-iodo-(1121-86-4) |
| EPA chemische Informationen | m-Fluoroiodobenzene (1121-86-4) |
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 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 | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29039990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Fluoroiodobenzene was used to prepare methyl 4-iodobenzo[b]thiophene-2-carboxylate, key intermediate for the synthesis of 4-substituted benzo[b]thiophene-2-carboxamidines.