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1,2:5,6-Diepoxyhexan
1,2-Di(oxiran-2-yl)ethane · Hexadienediepoxide · 1,2:5,6-DIEPOXYHEXANE · 1,2,5,6-DIEPOXYHEXANE · 1,2:5,6-diepoxy-hexan · 1,2-Bisoxiranylethane · 2,2'-Ethylenebisoxirane · 1,5-Hexadiene diepoxide
Identifikatoren & physikalische Daten
| CAS No. | 1888-89-7 |
|---|---|
| Summenformel | C6H10O2 |
| Durchschnittliche Molmasse | 114,14 g/mol |
| Monoisotopische Masse | 114,06807956 g/mol |
| SMILES | C(CC1CO1)C1CO1 |
| InChIKey | HTJFSXYVAKSPNF-UHFFFAOYSA-N |
| PubChem CID | 15903 |
| EC No. | 217-564-0 |
| DTXSID | DTXSID00940391 |
| Lokaler Name | 1,2:5,6-Diepoxyhexan |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 80 |
| Siedepunkt | 62 °C (300 mmHg) |
| Dichte | 0.98 |
| Brechungsindex | 1.439-1.441 |
| Flammpunkt | 97 °C |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Wichte | 0.98 |
| InChI | InChI=1S/C6H10O2/c1(5-3-7-5)2-6-4-8-6/h5-6H,1-4H2 |
| InChIKey | HTJFSXYVAKSPNF-UHFFFAOYSA-N |
| SMILES | C1(OC1)CCC1OC1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%) |
| UN-Transportnummer | 1993 |
| Zollcode | 29109000 |
| RTECS-Nr. | MO1575000 |
| R-Sätze (R) | 46-45-23/24/25 |
| Gefahrensymbole | T |
| Sicherheitshinweise (S) | 53-45-36/37 |
Anwendungen & Verwendung
Verwenden
1,2,5,6-Diepoxyhexane is an intermediate used to prepare C13-22 fragment of amphidinolide T2 via nickel-catalyzed reductive coupling of alkyne and terminal epoxide.