HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Iodobenzylalkohol
(3-Iodophenyl)methanol · 3-Iodobenzenemethanol · m-iodo-benzylalcoho · RARECHEM AL BD 0709 · 3-IODOBENZYL ALCOHO · M-IODOBENZYL ALCOHOL · 3-IODOBENZYL ALCOHOL · Compound T21214(SC)
Identifikatoren & physikalische Daten
| CAS No. | 57455-06-8 |
|---|---|
| Summenformel | C7H7IO |
| Durchschnittliche Molmasse | 234,03 g/mol |
| Monoisotopische Masse | 233,95416284 g/mol |
| SMILES | OCc1cccc(I)c1 |
| InChIKey | QGCCNWSXJHGUNL-UHFFFAOYSA-N |
| PubChem CID | 42300 |
| EC No. | 260-744-9 |
| DTXSID | DTXSID00206065 |
| Lokaler Name | 3-Iodobenzylalkohol |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 85 |
| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
| Siedepunkt | 252 °C711 mm Hg(lit.) |
| Dichte | 1.842 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.636(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C, protect from light |
| pKa (Säurekonstante) | 14.09±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Wichte | 1.84 |
| Farbe | Clear pale yellow to orange-red |
| BRN | 3234821 |
| InChI | 1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2 |
| InChIKey | QGCCNWSXJHGUNL-UHFFFAOYSA-N |
| SMILES | OCc1cccc(I)c1 |
| CAS Datenbank | 57455-06-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 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. | DO8318000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Iodobenzyl alcohol was used in the preparation of:6-(3-iodo-benzyloxy)-9H-purin-2-ylamine3-(1-methylethenyl)benzenemethanol3-ethenylbenzenemethanoldendritic iron(II) porphyrins