HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-tert-Butylanilin
BUTTPARK 43\57-25 · 3-(T-BUTYL)ANILINE · m-tert-Butylaniline · 3-(TERT-BUTYL)ANILINE · Aniline, m-tert-butyl- · 3-tert-Butylaniline >3-tert-Butylaniline 98% · 3-tert-butylbenzenamine · 3-tert-Butylaniline, 97%
Identifikatoren & physikalische Daten
| CAS No. | 5369-19-7 |
|---|---|
| Summenformel | C10H15N |
| Durchschnittliche Molmasse | 149,23 g/mol |
| Monoisotopische Masse | 149,12044948 g/mol |
| SMILES | CC(C)(C)c1cccc(N)c1 |
| InChIKey | DPKTVUKEPNBABS-UHFFFAOYSA-N |
| PubChem CID | 79334 |
| EC No. | 226-361-6 |
| DTXSID | DTXSID30201942 |
| Lokaler Name | 3-tert-Butylanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 123 |
| Siedepunkt | 140 °C |
| Dichte | 0.942±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.5390-1.5430 |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 4.69±0.10(Predicted) |
| Farbe | Light orange to Yellow to Green |
| InChI | 1S/C10H15N/c1-10(2,3)8-5-4-6-9(11)7-8/h4-7H,11H2,1-3H3 |
| InChIKey | DPKTVUKEPNBABS-UHFFFAOYSA-N |
| SMILES | CC(C)(C)c1cccc(N)c1 |
| CAS Datenbank | 5369-19-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (18.2%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 11 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (90.9%) |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Zollcode | 2921490090 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-(Tert-butyl)aniline is an important pharmaceutical and pesticide intermediate. The meta-tert-butylphenol obtained by acidification and other steps can be used as a synthetic raw material for the fungicide etoxazole and the antioxidant anoxazole.