HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Dimethylamino)benzonitril
AKOS B004059 · aminobenzonitriL · TIMTEC-BB SBB008018 · 4-CYANODIMETHYLANILINE · LABOTEST-BB LT00233151 · N,N-Dimethyl-p-cyanoaniline · N,N-Dimethyl-4-cyanoaniline · p-Cyano-N,N-dimethylaniline
Identifikatoren & physikalische Daten
| CAS No. | 1197-19-9 |
|---|---|
| Summenformel | C9H10N2 |
| Durchschnittliche Molmasse | 146,19 g/mol |
| Monoisotopische Masse | 146,08439832 g/mol |
| SMILES | CN(C)c1ccc(C#N)cc1 |
| InChIKey | JYMNQRQQBJIMCV-UHFFFAOYSA-N |
| PubChem CID | 70967 |
| EC No. | 214-819-8 |
| DTXSID | DTXSID4073255 |
| Lokaler Name | 4-(Dimethylamino)benzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 27 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 158 |
| Stoffklassen | Nitrogen Compounds -> Nitriles |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 2.2 |
| Dampfdruck | 0.02 [mmHg] |
| Physical Description | Yellow crystalline powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 72-75 °C(lit.) |
| Siedepunkt | 318 °C(lit.) |
| Dichte | 1.3346 (rough estimate) |
| Brechungsindex | 1.5600 (estimate) |
| Flammpunkt | 317-319°C |
| Lagerbedingungen | 2-8°C, protect from light |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 1.61±0.12(Predicted) |
| Farbe | Light brown |
| BRN | 971606 |
| InChI | InChI=1S/C9H10N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,1-2H3 |
| InChIKey | JYMNQRQQBJIMCV-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(N(C)C)C=C1 |
| CAS Datenbank | 1197-19-9(CAS DataBase Reference) |
| EPA chemische Informationen | Benzonitrile, 4-(dimethylamino)- (1197-19-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, 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. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritantHarmful by ingestion and skin absorptionToxic by inhalation[Alfa Aesar MSDS] See 2-Amino-5-nitrobenzonitrile and 4-Aminobenzonitrile. |
| Hazard Classes and Categories | Acute Tox. 4 (97.7%) |
| Wassergefährdungsklasse (WGK) | 2 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 22-36/37/38-43 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 26-36/37-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-(Dimethylamino)benzonitrile is used in predicting the carcinogenicity of aromatic amine derivative in UK EMS collaborative study.