HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
(2-Aminophenyl)acetonitril
o-Aminobenzyl cyanide · 2-AMINOBENZYL CYANIDE · 2-(Cyanomethyl)aniline · 2-AMinobenzyl cyanide 97% · O-AMINOPHENYLACETONITRILE · 2-AMINOPHENYLACETONITRILE · 2-aminophenylethylnitrile · 2-Aminobenzeneacetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 2973-50-4 |
|---|---|
| Summenformel | C8H8N2 |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,06874826 g/mol |
| SMILES | N#CCc1ccccc1N |
| InChIKey | LMDPYYUISNUGGT-UHFFFAOYSA-N |
| PubChem CID | 76307 |
| EC No. | 221-015-0 |
| DTXSID | DTXSID60183888 |
| Lokaler Name | (2-Aminophenyl)acetonitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 145 |
| Schmelzpunkt | 69-72 °C (lit.) |
| Siedepunkt | 321°C |
| Dichte | 1.120±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | DMSO, Methanol |
| pKa (Säurekonstante) | 3.24±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Off-white |
| InChI | 1S/C8H8N2/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5,10H2 |
| InChIKey | LMDPYYUISNUGGT-UHFFFAOYSA-N |
| SMILES | Nc1ccccc1CC#N |
| CAS Datenbank | 2973-50-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 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 (95.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 23/24/25-36/37/38 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Aminobenzyl cyanide may be used in the preparation of oxindole.