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HCID 137137Erstellt: 27. Oktober 2026
1-Bromo-3,3-dimethylbutane
BrCH2CH2C(CH3)3 · 3-DIMETHYLBUTANE · 1-Brom-3,3-dimethylbutan · 1-Bromo-3,3-dimethylbutane · 3,3-dimethyl-1-bromobutane · 1-Bromo-3,3-dimethlybutane · Butane,1-bromo-3,3-dimethyl- · Butane, 1-bromo-3,3-dimethyl-
https://huagongshe.com/de/chemical/137137
Identifikatoren & physikalische Daten
| CAS No. | 1647-23-0 |
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| Summenformel | C6H13Br |
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| Durchschnittliche Molmasse | 165,07 g/mol |
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| Monoisotopische Masse | 164,02006252 g/mol |
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| SMILES | CC(C)(C)CCBr |
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| InChIKey | ROKZAMCDHKVZIQ-UHFFFAOYSA-N |
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| PubChem CID | 137137 |
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| EC No. | 800-293-2 |
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| DTXSID | DTXSID60167800 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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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 | 7 |
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| Formalladung | 0 |
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| Komplexität | 42,6 |
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| SpringerMaterials Properties | Density |
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| Schmelzpunkt | -44.22°C (estimate) |
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| Siedepunkt | 147.26°C (estimate) |
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| Dichte | 1.1497 |
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| Brechungsindex | 1.4424 |
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| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| InChI | InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3 |
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| InChIKey | ROKZAMCDHKVZIQ-UHFFFAOYSA-N |
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| SMILES | C(Br)CC(C)(C)C |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 2 (33.3%) |
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| Zollcode | 2903998090 |
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