HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Hexyne, 5-methyl-
ISOAMYLACETYLENE · 5-Methyl-1-hexyne · 5-methyl-hex-1-yne · 1-hexyne,5-methyl- · isopentylacetylene · HC≡CCH2CH2CH(CH3)2 · 5-Methyl-1-hexyne>5-Methyl-1-hexyne 97% · 5-METHYL-1-HEXYNE 99+%
Identifikatoren & physikalische Daten
| CAS No. | 2203-80-7 |
|---|---|
| Summenformel | C7H12 |
| Durchschnittliche Molmasse | 96,17 g/mol |
| Monoisotopische Masse | 96,09390038 g/mol |
| SMILES | C#CCCC(C)C |
| InChIKey | HKNANEMUCJGPMS-UHFFFAOYSA-N |
| PubChem CID | 137490 |
| EC No. | 627-853-7 |
| DTXSID | DTXSID80176499 |
Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 71,3 |
| SpringerMaterials Properties | Boiling point |
| Schmelzpunkt | -124°C |
| Siedepunkt | 91-93°C |
| Dichte | 0,732 g/cm3 |
| Brechungsindex | 1.4075 |
| Flammpunkt | -4°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Not miscible in water. |
| BRN | 1731845 |
| Henry-Konstante | 2.8×10-4 mol/(m3Pa) at 25℃, Yaws (2003) |
| InChI | 1S/C7H12/c1-4-5-6-7(2)3/h1,7H,5-6H2,2-3H3 |
| InChIKey | HKNANEMUCJGPMS-UHFFFAOYSA-N |
| SMILES | CC(C)CCC#C |
| CAS Datenbank | 2203-80-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3295 |
| Zollcode | 2901.29.5000 |
| R-Sätze (R) | 11-65 |
| Gefahrensymbole | F |
| Sicherheitshinweise (S) | 16-29-33-62-9 |
| Gefahrenklasse | 3Flam. Liq. 2 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
5-Methyl-1-hexyne is used as pharmaceutical intermediates.