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Heptylbenzol
HEPTYLBENZENE · PHENYLHEPTANE · heptyl-benzen · n-heptbenzene · 1-PHENYLHEPTAN · 1-PHENYLHEPTANE · benzene,heptyl- · n-Peptylbenzene
Identifikatoren & physikalische Daten
| CAS No. | 1078-71-3 |
|---|---|
| Summenformel | C13H20 |
| Durchschnittliche Molmasse | 176,3 g/mol |
| Monoisotopische Masse | 176,15650064 g/mol |
| SMILES | CCCCCCCc1ccccc1 |
| InChIKey | LBNXAWYDQUGHGX-UHFFFAOYSA-N |
| PubChem CID | 14115 |
| ChEBI | CHEBI:88592 |
| EC No. | 214-084-3 |
| DTXSID | DTXSID3061477 |
| Lokaler Name | Heptylbenzol |
Chemische & physikalische Eigenschaften
| XLogP | 6,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 6 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 101 |
| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 5.37 |
| Dampfdruck | 0.03 [mmHg] |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | −48 °C(lit.) |
| Siedepunkt | 233 °C(lit.) |
| Dichte | 0.86 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.485(lit.) |
| Flammpunkt | 203 °F |
| Lagerbedingungen | Store at room temperature |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.860 |
| BRN | 1905782 |
| Henry-Konstante | 2.7×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| InChI | 1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3 |
| InChIKey | LBNXAWYDQUGHGX-UHFFFAOYSA-N |
| SMILES | CCCCCCCc1ccccc1 |
| CAS Datenbank | 1078-71-3(CAS DataBase Reference) |
| NIST chemische Informationen | n-Heptylbenzene(1078-71-3) |
| EPA chemische Informationen | Heptylbenzene (1078-71-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.WarningH400 (92.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
| DOT Hazard Classification | n-HeptylbenzeneMarine pollutant |
| Hazard Classes and Categories | Aquatic Acute 1 (92.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3082 9/PG 3 |
| Zollcode | 29029090 |
| R-Sätze (R) | 50/53 |
| Gefahrensymbole | N |
| Sicherheitshinweise (S) | 23-24/25-61-60 |
| Gefahrenklasse | 9Aquatic Acute 1Aquatic Chronic 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
1-Phenylheptane is used in zirconia and titania based stationary phase capillary HTLC, to separate alkyl benzene derivatives using an acetonitrile-water eluent.