HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Isopropylaniline
3-AMINOCUMENE · M-CUMIDINE · m-Aminocumene · 3-Isopropylaniline · 3-Isopyropyl aniline · 3-Isopropylaniline>3-Isopropylphenylamine · meta-iso-propyl aniline · 3-ISOPROPYLANILINE, 98+%
Identifikatoren & physikalische Daten
| CAS No. | 5369-16-4 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CC(C)c1cccc(N)c1 |
| InChIKey | XCCNRBCNYGWTQX-UHFFFAOYSA-N |
| PubChem CID | 458679 |
| EC No. | 611-035-1 |
| DTXSID | DTXSID50332545 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 98,9 |
| Siedepunkt | 101-103/15mm |
| Dichte | 0,96 g/cm3 |
| Brechungsindex | 1.5445 (589.3 nm 20℃) |
| Flammpunkt | 102°C |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
| Löslichkeit | Practically insoluble in water |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 4.67±0.10(Predicted) |
| Farbe | Colorless to Light orange to Yellow |
| Wichte | 0.96 |
| InChI | 1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3 |
| InChIKey | XCCNRBCNYGWTQX-UHFFFAOYSA-N |
| SMILES | CC(C)c1cccc(N)c1 |
| CAS Datenbank | 5369-16-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 90.2% (37 of 41) of all reports.Not ClassifiedAggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2921420090 |
| R-Sätze (R) | 36/37/38-52-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralAquatic Chronic 3 |
Anwendungen & Verwendung
Verwenden
3-Isopropylaniline is an organic intermediate component used in the preparation of biomolecular inhibitors.