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2,6-Xylylisocyanid
2,6-xylyl isocyanide · 2-Isocyano-1,3-dimethylbenzene · Benzene, 2-isocyano-1,3-dimethyl- · HANSA ISN-0083 · m-xylyl isocyanide · RARECHEM AQ BD 0027 · 2,6-Xylyl isonitrile · 2,6-Xylene isonitrile
Identifikatoren & physikalische Daten
| CAS No. | 2769-71-3 |
|---|---|
| Summenformel | C9H9N |
| Durchschnittliche Molmasse | 131,17 g/mol |
| Monoisotopische Masse | 131,07349929 g/mol |
| SMILES | [C-]#[N+]c1c(C)cccc1C |
| InChIKey | DNJLFZHMJDSJFN-UHFFFAOYSA-N |
| PubChem CID | 76009 |
| EC No. | 220-459-2 |
| DTXSID | DTXSID10182048 |
| Lokaler Name | 2,6-Xylylisocyanid |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 4,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 143 |
| Schmelzpunkt | 72-75 °C |
| Siedepunkt | 50-53℃ (0.01 Torr) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Crystalline |
| Löslichkeit | Insoluble in water. |
| BRN | 3541909 |
| InChI | 1S/C9H9N/c1-7-5-4-6-8(2)9(7)10-3/h4-6H,1-2H3 |
| InChIKey | DNJLFZHMJDSJFN-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C)c1[N+]#[C-] |
| CAS Datenbank | 2769-71-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (13.3%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P262, P264, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P320, P321, P330, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (13.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 2929900090 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2,6-Dimethylphenyl isocyanide may be employed for the synthesis of homoleptic metallaamidine complex, Mo(η2-Me2NCN-2,6-C6H3)4, via reaction with Mo(NMe2)4.