HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ethylanilin
M-ETHYLANILINE · m-ethyl-anilin · 3-Alkylaniline · 3-Ethylaniline · Aniline, m-ethyl- · Aniline, 3-ethyl- · 3-Ethylaniline>3-ethylphenylamine · 3-ethylbenzenamine
Identifikatoren & physikalische Daten
| CAS No. | 587-02-0 |
|---|---|
| Summenformel | C8H11N |
| Durchschnittliche Molmasse | 121,18 g/mol |
| Monoisotopische Masse | 121,08914935 g/mol |
| SMILES | CCc1cccc(N)c1 |
| InChIKey | AMKPQMFZCBTTAT-UHFFFAOYSA-N |
| PubChem CID | 11475 |
| EC No. | 209-594-8 |
| DTXSID | DTXSID1051434 |
| Lokaler Name | 3-Ethylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 80,6 |
| Schmelzpunkt | -8 °C (lit.) |
| Siedepunkt | 212 °C (lit.) |
| Dichte | 0.975 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.555(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Aggregatzustand | Powder |
| pKa (Säurekonstante) | pK1:4.70(+1) (25°C) |
| Farbe | White to light beige or light gray |
| BRN | 636282 |
| Dielektrizitätskonstante | 6.0(20℃) |
| InChI | InChI=1S/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H3 |
| InChIKey | AMKPQMFZCBTTAT-UHFFFAOYSA-N |
| SMILES | C1(N)=CC=CC(CC)=C1 |
| CAS Datenbank | 587-02-0(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 95% (38 of 40) of all reports.Not ClassifiedAggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 3-ETHYLANILINE: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2810 6.1/PG 3 |
| Zollcode | 29214990 |
| RTECS-Nr. | BX9770000 |
| R-Sätze (R) | 23/24/25-33 |
| Gefahrensymbole | T,Xi |
| Sicherheitshinweise (S) | 36/37/39-45 |
| Gefahrenklasse | 6.1(b) |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Ethylaniline acts as a reagent in the design, synthesis and biological evaluation of thienopyrimidine hydroxamic acid based derivatives as structurally novel histone deacetylase (HDAC) inhibitors. Synthesis and biological evaluation of novel 2-aminonicotinamide derivatives as antifungal agents.