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Iodoacetonitril
2-Iodoacetonitrile · AKOS 91685 · odoacetonitrile · IODOACETONITRILE · Cyanoiodomethane · 10doacetonitrile · Cyanomethyl iodide · iodomethyl cyanide
Identifikatoren & physikalische Daten
| CAS No. | 624-75-9 |
|---|---|
| Summenformel | C2H2IN |
| Durchschnittliche Molmasse | 166,95 g/mol |
| Monoisotopische Masse | 166,92319706 g/mol |
| SMILES | N#CCI |
| InChIKey | VODKOOOHHCAWFR-UHFFFAOYSA-N |
| PubChem CID | 69356 |
| EC No. | 210-860-0 |
| DTXSID | DTXSID8073215 |
| Lokaler Name | Iodoacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 4 |
| Formalladung | 0 |
| Komplexität | 41,2 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | Coriolis coupling |
| Physical Description | Dark amber liquid[MSDSonline] |
| Siedepunkt | 182-184 °C/720 mmHg (lit.) |
| Dichte | 2.307 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.574(lit.) |
| Flammpunkt | 187 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, Methanol (Slightly)Soluble in benzene, alcohol, acetone, ether. Slightly soluble in water. Insoluble in hexane. |
| Aggregatzustand | Liquid |
| Wichte | 2.307 |
| Farbe | Clear red to brown |
| BRN | 1734628 |
| Stabilität | Light Sensitive |
| CAS Datenbank | 624-75-9(CAS DataBase Reference) |
| NIST chemische Informationen | Iodoacetonitrile(624-75-9) |
| EPA chemische Informationen | Acetonitrile, iodo- (624-75-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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. |
|---|---|
| Gefahrenübersicht | An irritant[MSDSonline] See NITRILES. |
| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
| Unerwünschte Wirkungen | Other Poison - Chemical Asphyxiant |
| F | 8-10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3265 8/PG 2 |
| Zollcode | 29269090 |
| R-Sätze (R) | 22-34-36/37/38-23/24/25 |
| Gefahrensymbole | C,T |
| Sicherheitshinweise (S) | 26-36/37/39-45-24/25 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
Iodoacetonitrile is used for alkylation of nucleophiles. It undergoes Reformatsky and Wittig-type reactions with aldehydes.