HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Amino-4-methylbenzonitril
6-Cyano-m-toluidine · 3-Amino-4-cyanotoluene · 2-Cyano-5-methylaniline · 2-AMINO-4-METHYLBENZONITRILE · 4-Methyl-2-aminobenzonitrile · Benzonitrile, 2-aMino-4-Methyl- · 2-Amino-4-methylbenzonitrile >2-Cyano-5-methylaniline, 3-Amino-4-cyanotoluene · 3-Amino-4-cyanotoluene 2-Cyano-5-methylaniline 6-Cyano-m-toluidine
Identifikatoren & physikalische Daten
| CAS No. | 26830-96-6 |
|---|---|
| Summenformel | C8H8N2 |
| Durchschnittliche Molmasse | 132,16 g/mol |
| Monoisotopische Masse | 132,06874826 g/mol |
| SMILES | Cc1ccc(C#N)c(N)c1 |
| InChIKey | LGNVAEIITHYWCG-UHFFFAOYSA-N |
| PubChem CID | 2801276 |
| EC No. | 248-020-0 |
| DTXSID | DTXSID00181323 |
| Lokaler Name | 2-Amino-4-methylbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 156 |
| Schmelzpunkt | 92-95 °C (lit.) |
| Siedepunkt | 150-152 °C(Press: 15 Torr) |
| Dichte | 1.10±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | 1.94±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Light yellow to Yellow to Orange |
| InChI | 1S/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H3 |
| InChIKey | LGNVAEIITHYWCG-UHFFFAOYSA-N |
| SMILES | Cc1ccc(C#N)c(N)c1 |
| CAS Datenbank | 26830-96-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,T |
| hazard_note | Toxic |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Amino-4-methylbenzonitrile was used in the synthesis of: 7-methyl-4-(phenylamino)quinazoline-2(1H)-seloneracemic aminoquinolines, potential acetylcholinesterase (AChE) inhibitors