HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Iodobenzyl alcohol
(4-Iodophenyl)Methanol · 4-IodobenzyL · p-iodo-benzylalcoho · RARECHEM AL BD 0710 · 4-iodobenzyl alcoho · P-IODOBENZYL ALCOHOL · 4-IODOBENZYL ALCOHOL · 4-iodo-benzenemethano
Identifikatoren & physikalische Daten
| CAS No. | 18282-51-4 |
|---|---|
| Summenformel | C7H7IO |
| Durchschnittliche Molmasse | 234,03 g/mol |
| Monoisotopische Masse | 233,95416284 g/mol |
| SMILES | OCc1ccc(I)cc1 |
| InChIKey | CNQRHSZYVFYOIE-UHFFFAOYSA-N |
| PubChem CID | 29012 |
| EC No. | 627-655-0 |
| DTXSID | DTXSID90171339 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 77 |
| Schmelzpunkt | 72-75 °C (lit.) |
| Siedepunkt | 136°C/5mmHg(lit.) |
| Dichte | 1.867±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 14.16±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to pale yellow |
| BRN | 1931621 |
| InChI | InChI=1S/C7H7IO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 |
| InChIKey | CNQRHSZYVFYOIE-UHFFFAOYSA-N |
| SMILES | C1(CO)=CC=C(I)C=C1 |
| CAS Datenbank | 18282-51-4(CAS DataBase Reference) |
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 46 reports by companies from 6 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 |
| Zollcode | 29062990 |
| RTECS-Nr. | DO8318020 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Iodobenzyl alcohol may be used in the preparation of:S-(4-Iodobenzyl) thioacetateS-(4-iodobenzyl) thiobenzoatefatty acid 4-iodobenzyl esters (FAIBEs)(4-trimethylsilylethynylphenyl)methanol