HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethanone, 1-(3-iodophenyl)-
1-(3-iodophenyl)ethan-1-one · 3'-IODOACETOPHE · 3'-Iodoacetophenone · 3-iodobenzenethylone · 3-Acetyl-1-iodobenzene · 3''-IODOACETOPHENONE 99% · 1-(3-Iodophenyl)ethanone · 1-(3-iodophenyl)-ethanon
Identifikatoren & physikalische Daten
| CAS No. | 14452-30-3 |
|---|---|
| Summenformel | C8H7IO |
| Durchschnittliche Molmasse | 246,04 g/mol |
| Monoisotopische Masse | 245,95416284 g/mol |
| SMILES | CC(=O)c1cccc(I)c1 |
| InChIKey | IWLHOUBDKCKJJQ-UHFFFAOYSA-N |
| PubChem CID | 84449 |
| EC No. | 627-958-8 |
| DTXSID | DTXSID5065770 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 133 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | 25 °C |
| Siedepunkt | 98°C 1mm |
| Dichte | 1.767 g/mL at 25 °C |
| Brechungsindex | n/D 1.6247 |
| Flammpunkt | 110 °C |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Orange |
| Wichte | 1.78 |
| InChI | 1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3 |
| InChIKey | IWLHOUBDKCKJJQ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cccc(I)c1 |
| CAS Datenbank | 14452-30-3(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanone, 1-(3-iodophenyl)- (14452-30-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2914790090 |
| R-Sätze (R) | 36/37/38-41-22 |
| Gefahrensymbole | Xi,C,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-39-24/25-22 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 OralEye Dam. 1 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3''-Iodoacetophenone is a reagent used in the synthesis of sulfonamide derivative containing dihydropyrazole moieties as an inhibitor of MMP-2/MMP-9.