HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,6-Heptadiene
hepta-1,6-diene · 1,6-HEPTADIENE · 1,6-Heptadiene>1,6-HEPTADIENE 99% · CH2=CH(CH2)3CH=CH2 · 1,6-Heptadiene,99% · 1,5-HEPTADIENE 99% · 1,6-HEPTADIENE 98% MIN. · 1,6-Heptadiene ISO 9001：2015 REACH
Identifikatoren & physikalische Daten
| CAS No. | 3070-53-9 |
|---|---|
| Summenformel | C7H12 |
| Durchschnittliche Molmasse | 96,17 g/mol |
| Monoisotopische Masse | 96,09390038 g/mol |
| SMILES | C=CCCCC=C |
| InChIKey | GEAWFZNTIFJMHR-UHFFFAOYSA-N |
| PubChem CID | 16968 |
| EC No. | 626-010-0 |
| DTXSID | DTXSID2062828 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 0 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 0 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 45,1 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -129.4--129 °C (lit.) |
| Siedepunkt | 89-90 °C (lit.) |
| Dichte | 0.714 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.414(lit.) |
| Flammpunkt | -10 °C |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | 44mg/L(25 ºC) |
| BRN | 1731760 |
| Henry-Konstante | 5.6×10-5 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| InChI | 1S/C7H12/c1-3-5-7-6-4-2/h3-4H,1-2,5-7H2 |
| InChIKey | GEAWFZNTIFJMHR-UHFFFAOYSA-N |
| SMILES | C=CCCCC=C |
| CAS Datenbank | 3070-53-9(CAS DataBase Reference) |
| EPA chemische Informationen | 1,6-Heptadiene (3070-53-9) |
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, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, 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 40 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 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3295 3/PG 2 |
| Zollcode | 2901.29.5000 |
| R-Sätze (R) | 11-36/37/38-65 |
| Gefahrensymbole | F,Xn |
| Sicherheitshinweise (S) | 16-26-62 |
| Gefahrenklasse | 3.1Asp. Tox. 1Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,6-Heptadiene has been used as a starting reagent in asymmetric synthesis of all stereoisomers of 6-methylpipecolic acids.