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HCID 620136Erstellt: 27. Oktober 2026
1-Bromo-3,5-di-tert-butylbenzene
1-BROMO-3,5-DI-TERT-BUTYLBENZENE · 1-BROMO-3,5-DI-T-BUTYLBENZENE · TIMTEC-BB SBB005901 · 3,5- Di TERTbutylbenzene · 1-Bromo-3,5-di-tert-butyL · 3,5-DI-T-BUTYLBROMOBENZENE · 3,5-Di-tert-butylbromobenze · 3,5-Di-tert-butylbromobenzene
https://huagongshe.com/de/chemical/620136
Identifikatoren & physikalische Daten
| CAS No. | 22385-77-9 |
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| Summenformel | C14H21Br |
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| Durchschnittliche Molmasse | 269,22 g/mol |
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| Monoisotopische Masse | 268,08266277 g/mol |
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| SMILES | CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1 |
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| InChIKey | BUOWTUULDKULFI-UHFFFAOYSA-N |
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| PubChem CID | 620136 |
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| EC No. | 607-060-2 |
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| DTXSID | DTXSID00347326 |
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Chemische & physikalische Eigenschaften
| XLogP | 6 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 184 |
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| Schmelzpunkt | 62-66 °C(lit.) |
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| Siedepunkt | 152-156 °C(Press: 26 Torr) |
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| Dichte | 1.126±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| Löslichkeit | 35μg/L at 25℃ |
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| BRN | 2091559 |
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| InChI | InChI=1S/C14H21Br/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9H,1-6H3 |
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| InChIKey | BUOWTUULDKULFI-UHFFFAOYSA-N |
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| SMILES | C1(Br)=CC(C(C)(C)C)=CC(C(C)(C)C)=C1 |
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| LogP (Verteilungskoeffizient) | 6.7 at 25℃ |
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| CAS Datenbank | 22385-77-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 40% (2 of 5) of reports.WarningH302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 20-08-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6107 |
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| Hazard Classes and Categories | Acute Tox. 4 (40%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29039990 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 22-24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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