HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,3,5-Tri-tert-butylbenzol
1,3,5-Tri-tert-butyL · 1,3,5-tert-butylbenzene · 1,3,5-TRI-T-BUTYLBENZENE · 1,3,5-TRI-TERT-BUTYLBENZENE · 2,4,6-Tri-tert-butylbenzene · 1,3,5-Tris-tert-butylbenzene · 1,3,5-TRI-T-BUTYLBENZENE 95% · 1,3,5-Tri-tert-butylbenzene,95%
Identifikatoren & physikalische Daten
| CAS No. | 1460-02-2 |
|---|---|
| Summenformel | C18H30 |
| Durchschnittliche Molmasse | 246,4 g/mol |
| Monoisotopische Masse | 246,23475096 g/mol |
| SMILES | CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 |
| InChIKey | GUFMBISUSZUUCB-UHFFFAOYSA-N |
| PubChem CID | 15089 |
| EC No. | 215-952-4 |
| DTXSID | DTXSID50163255 |
| Lokaler Name | 1,3,5-Tri-tert-butylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 6,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 206 |
| Stoffklassen | Industrial compound |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | 67-72 °C (lit.) |
| Siedepunkt | 121-122 °C/12 mmHg (lit.) |
| Dichte | 0.8496 (estimate) |
| Brechungsindex | 1.4948 (estimate) |
| Flammpunkt | 121-122°C/12mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Ethyl Acetate (Slightly)Insoluble in water. |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 1909579 |
| InChI | InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3 |
| InChIKey | GUFMBISUSZUUCB-UHFFFAOYSA-N |
| SMILES | C1(C(C)(C)C)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1 |
| CAS Datenbank | 1460-02-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1,3,5-tri-tert-butyl-(1460-02-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302: Harmful if swallowed [Warning Acute toxicity, oral] |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%)Acute toxicity (Oral) - Category 4 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29029090 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,3,5-Tri-tert-butylbenzene is used in the preparation of sandwich complexes of scandium, yttrium and lanthanide ions.