HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Octa-1,7-diin
212-815-0 · 1,7-Dctadiyne · 1,7-OCTADIYNE · octa-1,7-diyne · 1,7-Octanediyne · Octane-1,7-diyne · 1,7-Octadiyne>1,7-Octadiyne 98% · 1,7-Octadiyne,99%
Identifikatoren & physikalische Daten
| CAS No. | 871-84-1 |
|---|---|
| Summenformel | C8H10 |
| Durchschnittliche Molmasse | 106,16 g/mol |
| Monoisotopische Masse | 106,07825032 g/mol |
| SMILES | C#CCCCCC#C |
| InChIKey | DSOJWVLXZNRKCS-UHFFFAOYSA-N |
| PubChem CID | 70099 |
| EC No. | 212-815-0 |
| DTXSID | DTXSID1061233 |
| Lokaler Name | Octa-1,7-diin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 107 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | 27°C (estimate) |
| Siedepunkt | 135-136 °C (lit.) |
| Dichte | 0.8 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.446(lit.) |
| Flammpunkt | 74 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Not miscible or difficult to mix. |
| Aggregatzustand | Liquid |
| Wichte | 0.817 |
| Farbe | Clear colorless to faintly yellow |
| BRN | 1697275 |
| InChI | InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2 |
| InChIKey | DSOJWVLXZNRKCS-UHFFFAOYSA-N |
| SMILES | C#CCCCCC#C |
| CAS Datenbank | 871-84-1(CAS DataBase Reference) |
| EPA chemische Informationen | 1,7-Octadiyne (871-84-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 55 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3295 3/PG 3 |
| Zollcode | 29012990 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 16-26-36/37/39 |
| Gefahrenklasse | 3Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,7-Octadiyne is an useful bifunctional chain extension unit. It participates in the formation of uranium(IV) vinyl complexes. It reacts with frustrated Lewis pair P(o-tolyl)3/B(C6F5)3 by acetylene C-C coupling to yield the zwitterionic product. It undergoes the reductive cyclization during reaction with Re2Cl4(-dppm)2 (dppm = Ph2PCH2PPh2) and affords quadruply bonded dirhenium(III) complex Re2Cl3(,η2-C8H7)(-dppm)2.