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2-Naphthonitril
2-CYANONAPHTHALENE · NSC4169 · NSC 4169 · NSC-4169 · 2-phthonitrile · B-NAPHTHONITRILE · 2-NAPHTHONITRILE · 2-Naphthonitirle
Identifikatoren & physikalische Daten
| CAS No. | 613-46-7 |
|---|---|
| Summenformel | C11H7N |
| Durchschnittliche Molmasse | 153,18 g/mol |
| Monoisotopische Masse | 153,05784922 g/mol |
| SMILES | N#Cc1ccc2ccccc2c1 |
| InChIKey | AZKDTTQQTKDXLH-UHFFFAOYSA-N |
| PubChem CID | 11944 |
| EC No. | 210-344-5 |
| DTXSID | DTXSID7060621 |
| Lokaler Name | 2-Naphthonitril |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 200 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 63-68 °C |
| Siedepunkt | 156-158°C 12mm |
| Dichte | 1.0755 |
| Brechungsindex | 1.6210 (estimate) |
| Flammpunkt | 156-158°C/12mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Benzene,Methanol |
| Aggregatzustand | Crystalline Powder |
| Farbe | Off-white to beige |
| BRN | 1363868 |
| InChI | 1S/C11H7N/c12-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H |
| InChIKey | AZKDTTQQTKDXLH-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc2ccccc2c1 |
| CAS Datenbank | 613-46-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Naphthalenecarbonitrile(613-46-7) |
| EPA chemische Informationen | 2-Naphthalenecarbonitrile (613-46-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH300 (88.6%): Fatal if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 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. 2 (88.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| RTECS-Nr. | QL5976350 |
| R-Sätze (R) | 20/21/22-51/53-41-37/38-25 |
| Gefahrensymbole | Xn,N,T |
| Sicherheitshinweise (S) | 36/37-61-45-36/37/39-26-39 |
| Gefahrenklasse | 6.1Acute Tox. 2 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Cyanonaphthalene [613-46-7], bnaphthonitrile, 2-naphthoic acid nitrile, Mr 153.17, mp 66℃, bp 303℃, forms colorless crystals that are readily soluble in ethanol. It is used in organic synthesis and suitable as a reaction medium for obtaining propylene from ethylene and 2-butene by olefin metathesis.