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cis-3-Hexene
(Z)-3-Hexene · (Z)-3-C6H12 · CIS-3-HEXENE · cis-hex-3-ene · 3-hexene,(Z)- · (3Z)-3-Hexene · cis-3-Hexene>3-Hexene, (3Z)- · cis-3-hexene93+%
Identifikatoren & physikalische Daten
| CAS No. | 7642-09-3 |
|---|---|
| Summenformel | C6H12 |
| Durchschnittliche Molmasse | 84,16 g/mol |
| Monoisotopische Masse | 84,09390038 g/mol |
| SMILES | CC/C=C\CC |
| InChIKey | ZQDPJFUHLCOCRG-WAYWQWQTSA-N |
| PubChem CID | 643783 |
| ChEBI | CHEBI:176792 |
| EC No. | 627-162-0 |
| DTXSID | DTXSID30891266 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 29,3 |
| Stoffklassen | Other Classes -> Aliphatics, Unsaturated |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Light yellow liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -137.82°C |
| Siedepunkt | 67 °C |
| Dichte | 0.677 |
| Brechungsindex | 1.3935-1.3955 |
| Flammpunkt | -12 °C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Wichte | 0.677 |
| BRN | 1718858 |
| Henry-Konstante | 2.6×10-5 mol/(m3Pa) at 25℃, Yaws (2003) |
| Dielektrizitätskonstante | 2.1(24℃) |
| InChI | 1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5- |
| InChIKey | ZQDPJFUHLCOCRG-WAYWQWQTSA-N |
| SMILES | CC\C=C/CC |
| LogP (Verteilungskoeffizient) | 3.420 (est) |
| EPA chemische Informationen | 3-Hexene, (3Z)- (7642-09-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P301+P316, P303+P361+P353, P305+P351+P338, P331, P337+P317, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 67 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritant that may cause severe eye irritationAn aspiration hazard by ingestion (may cause lung damage)[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3295 |
| Zollcode | 29012990 |
| R-Sätze (R) | 65-11-36 |
| Gefahrensymbole | Xn-F,Xn,F |
| Sicherheitshinweise (S) | 62-16-26 |
| Gefahrenklasse | 3Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
cis-3-Hexene is used as an organic chemical synthesis intermediate.