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Hexa-1,5-diin
Dipropargyl · Bipropargyl · 1,5-Hexadiyne · hexa-1,5-diyne · Hexadiyne-3-ene · Hexane-1,5-diyne · HCequivCCH2CH2CequivCH · 1,5-HEXADIYNE, 50% IN PENTANE
Identifikatoren & physikalische Daten
| CAS No. | 628-16-0 |
|---|---|
| Summenformel | C6H6 |
| Durchschnittliche Molmasse | 78,11 g/mol |
| Monoisotopische Masse | 78,04695019 g/mol |
| SMILES | C#CCCC#C |
| InChIKey | YFIBSNDOVCWPBL-UHFFFAOYSA-N |
| PubChem CID | 69402 |
| ChEBI | CHEBI:37821 |
| EC No. | 211-029-5 |
| DTXSID | DTXSID6060848 |
| Lokaler Name | Hexa-1,5-diin |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 86,5 |
| Stoffklassen | Other Classes -> Aliphatics, Unsaturated |
| SpringerMaterials Properties | Schoenflies notation |
| Physical Description | Clear liquid[MSDSonline] Boiling point = 86 deg C[ChemIDplus] |
| Schmelzpunkt | -6°C |
| Siedepunkt | 86°C(lit.) |
| Dichte | 0,805 g/cm3 |
| Brechungsindex | 1.4400 to 1.4440 |
| Flammpunkt | -7°C |
| Aggregatzustand | Liquid |
| Farbe | Colorless to Yellow |
| Löslichkeit | Immiscible with water. |
| LogP (Verteilungskoeffizient) | 1.500 (est) |
| CAS Datenbank | 628-16-0(CAS DataBase Reference) |
| EPA chemische Informationen | 1,5-Hexadiyne (628-16-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | An irritantMay be harmful if ingested[MSDSonline] See Acetylene. |
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3295 |
| Zollcode | 2901.29.5000 |
| R-Sätze (R) | 12 |
| Sicherheitshinweise (S) | 9-16-29-33 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
1,5-Hexadiyne is used in the preparation of bisdehydro[12]annulene and biphenylene. It is also used as an important starting material in the preparation of (5Z,9Z)-5,9-hexadecadienoic acid. Further, it is involved in the preparation of linear organotin polymers by reaction with organotin dihydrides.