HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 77970Erstellt: 26. Oktober 2026
6-Bromo-1-hexanol
6-BROMOHEXANOL · 6-BROMO-HEXAN-1-OL · AURORA KA-3138 · 6-bromo-1-hexano · 6-BROMO-N-HEXANOL · 6-BROMO-1-HEXANOL · 1-bromo-6-hexanol · 6-Bromine-1-hexol
https://huagongshe.com/de/chemical/77970
Identifikatoren & physikalische Daten
| CAS No. | 4286-55-9 |
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| Summenformel | C6H13BrO |
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| Durchschnittliche Molmasse | 181,07 g/mol |
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| Monoisotopische Masse | 180,01497714 g/mol |
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| SMILES | OCCCCCCBr |
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| InChIKey | FCMCSZXRVWDVAW-UHFFFAOYSA-N |
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| PubChem CID | 77970 |
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| ChEMBL | CHEMBL1231334 |
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| EC No. | 610-072-0 |
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| DTXSID | DTXSID2063397 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 20,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 39,5 |
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| Stoffklassen | Other Classes -> Halogenated Alcohols |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Physical Description | Clear colorless to slightly yellow liquid[Acros Organics MSDS] |
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| Siedepunkt | 105-106 °C5 mm Hg(lit.) |
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| Dichte | 1.384 g/mL at 25 °C(lit.) |
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| Dampfdruck | 0.25Pa at 20℃ |
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| Brechungsindex | n20/D 1.482(lit.) |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Soluble in chloroform and methanol. |
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| pKa (Säurekonstante) | 15.16±0.10(Predicted) |
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| Aggregatzustand | Oil |
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| Farbe | Clear Colorless |
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| BRN | 1732415 |
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| Stabilität | Stable. Incompatible with strong oxidizing agents, acid chlorides, acid anhydrides. |
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| InChI | 1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2 |
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| InChIKey | FCMCSZXRVWDVAW-UHFFFAOYSA-N |
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| SMILES | BrCCCCCCO |
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| LogP (Verteilungskoeffizient) | 2.16 at 25℃ |
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| CAS Datenbank | 4286-55-9(CAS DataBase Reference) |
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| EPA chemische Informationen | 1-Hexanol, 6-bromo- (4286-55-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 50 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Status: Active Update: 02-05-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17372 |
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| Gefahrenübersicht | An irritant[Acros Organics MSDS] See 3-Chloro-1-propanol. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29055900 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36-37/39 |
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| Lagerklasse | 10 - Combustible liquids |
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| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
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