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3,3'-(Ethylendioxy)dipropiononitril
DENE · 1,2-BIS(2-CYANOETHOXY)ETHANE · 3,3'-(ethylenedioxy)dipropiononitrile · liquidphaseforGC · PEG2-bis(Alkyne) · LABOTEST-BB LT00044435 · 4,7-dioxa-decanedinitrile · 1,2-bis(Cyanoethoxy)ethane
Identifikatoren & physikalische Daten
| CAS No. | 3386-87-6 |
|---|---|
| Summenformel | C8H12N2O2 |
| Durchschnittliche Molmasse | 168,19 g/mol |
| Monoisotopische Masse | 168,08987762 g/mol |
| SMILES | N#CCCOCCOCCC#N |
| InChIKey | VTHRQKSLPFJQHN-UHFFFAOYSA-N |
| PubChem CID | 76921 |
| ChEMBL | CHEMBL3182354 |
| EC No. | 222-208-2 |
| DTXSID | DTXSID0044656 |
| Lokaler Name | 3,3'-(Ethylendioxy)dipropiononitril |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 66 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 164 |
| SpringerMaterials Properties | Viscosity |
| Collision Cross Section | 143.0 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID0044656] |
| Siedepunkt | 165 °C / 5mmHg |
| Dichte | 1,07 g/cm3 |
| Brechungsindex | 1.4470 to 1.4510 |
| Lagerbedingungen | Storage temp. 2-8°C |
| InChI | InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2 |
| InChIKey | VTHRQKSLPFJQHN-UHFFFAOYSA-N |
| SMILES | C(OCCC#N)COCCC#N |
| EPA chemische Informationen | Propanenitrile, 3,3'-[1,2-ethanediylbis(oxy)]bis- (3386-87-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (45%): Highly Flammable liquid and vapor [Danger Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 20 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 2 (45%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3276 |
| Zollcode | 2926.90.5050 |
| R-Sätze (R) | 23/24/25 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | III |