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Cyclohexa-1,4-dien
1,4-CYCLOHEXADIENE · 1,4-CHD · 1,4-DIHYDROBENZENE · 1,4-Cyclohexanediene · 1,4-CycL · ohexadiene · Cyclohexa-1,4-diene · 1,4-Cyclohexadiene 97%
Identifikatoren & physikalische Daten
| CAS No. | 628-41-1 |
|---|---|
| Summenformel | C6H8 |
| Durchschnittliche Molmasse | 80,13 g/mol |
| Monoisotopische Masse | 80,06260026 g/mol |
| SMILES | C1=CCC=CC1 |
| InChIKey | UVJHQYIOXKWHFD-UHFFFAOYSA-N |
| PubChem CID | 12343 |
| ChEBI | CHEBI:37611 |
| EC No. | 211-043-1 |
| DTXSID | DTXSID0060854 |
| Lokaler Name | Cyclohexa-1,4-dien |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 58 |
| Stoffklassen | Other Classes -> Aliphatics, Unsaturated |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | 2.48 |
| Physical Description | Clear colorless liquid[MSDSonline] |
| Schmelzpunkt | -49.2 °C |
| Siedepunkt | 88-89 °C (lit.) |
| Dichte | 0.847 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.472(lit.) |
| Flammpunkt | 20 °F |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| Löslichkeit | Miscible with organic solvents like diethyl ether, tetrahydrofuran and toluene.Immiscible with water. |
| BRN | 1900733 |
| Henry-Konstante | 1.3×10-3 mol/(m3Pa) at 25℃, Brockbank (2013) |
| Dielektrizitätskonstante | 2.2599999999999998 |
| Stabilität | Stable. Highly flammable. Incompatible with strong oxidizing agents. |
| InChI | 1S/C6H8/c1-2-4-6-5-3-1/h1-2,5-6H,3-4H2 |
| InChIKey | UVJHQYIOXKWHFD-UHFFFAOYSA-N |
| SMILES | C1C=CCC=C1 |
| LogP (Verteilungskoeffizient) | 2.300 |
| CAS Datenbank | 628-41-1(CAS DataBase Reference) |
| NIST chemische Informationen | 1,4-Cyclohexadiene(628-41-1) |
| EPA chemische Informationen | 1,4-Cyclohexadiene (628-41-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P280, P303+P361+P353, P318, P319, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,4-Cyclohexadiene1,4-Cyclohexadiene: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May cause irritation[MSDSonline] See 1,4-Hexadiene. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| F | 23 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3295 3/PG 2 |
| Zollcode | 29021990 |
| R-Sätze (R) | 11-48/20/21/22-46-45 |
| Gefahrensymbole | F,T |
| Sicherheitshinweise (S) | 53-45-16 |
| Gefahrenklasse | 3Carc. 1AFlam. Liq. 2Muta. 1BSTOT RE 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Reagent for selectively cleaving benzyl esters in the presence of benzyl ethers by catalytic H-transfer.