HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Naphthylacetonitril
2-(NAPHTHALEN-2-YL)ACETONITRILE · 2-NAPHTHALENEACETONITRILE · 2-Naphthylacetonitri · 2-Naphtylacetonitrile · 2-NAPHTHYLACETONITRILE · 2-Naphthylmethylcyanide · 2-Naphthtyl acetonitrile · (b-Naphthyl)acetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 7498-57-9 |
|---|---|
| Summenformel | C12H9N |
| Durchschnittliche Molmasse | 167,21 g/mol |
| Monoisotopische Masse | 167,07349929 g/mol |
| SMILES | N#CCc1ccc2ccccc2c1 |
| InChIKey | LPCWDVLDJVZIHA-UHFFFAOYSA-N |
| PubChem CID | 82008 |
| EC No. | 231-352-5 |
| DTXSID | DTXSID90225942 |
| Lokaler Name | 2-Naphthylacetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 212 |
| Schmelzpunkt | 82-84 °C (lit.) |
| Siedepunkt | 303 °C (lit.) |
| Dichte | 1.092 g/mL at 25 °C (lit.) |
| Brechungsindex | 1.5785 (estimate) |
| Flammpunkt | 303°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly)Insoluble in water. |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1862879 |
| InChI | InChI=1S/C12H9N/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-6,9H,7H2 |
| InChIKey | LPCWDVLDJVZIHA-UHFFFAOYSA-N |
| SMILES | C1=C2C(C=CC=C2)=CC=C1CC#N |
| CAS Datenbank | 7498-57-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Naphthylacetonitrile(7498-57-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-34-11 |
| Gefahrensymbole | Xn,C,F |
| Sicherheitshinweise (S) | 36-24/25-45-36/37/39-26-16 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Naphthylacetonitrile was used as starting reagent in the synthesis of 2-(1-cyano-1-(2-naphthyl))methylidene-3-phenyl-thiazolidine-4,5-dione.