HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1,1'-Azobis(1-cyclohexancarbonitril)
ACCN · V-40 · 1,1'-Azobis(cyclohexanecarbonitrile) · MDEG · BNAC1 · ASIC2 · LABOTEST-BB LT00160148 · AZO-1-CYANOCYCLOHEXANE
Identifikatoren & physikalische Daten
| CAS No. | 2094-98-6 |
|---|---|
| Summenformel | C14H20N4 |
| Durchschnittliche Molmasse | 244,34 g/mol |
| Monoisotopische Masse | 244,16879664 g/mol |
| SMILES | N#CC1(N=NC2(C#N)CCCCC2)CCCCC1 |
| InChIKey | KYIKRXIYLAGAKQ-UHFFFAOYSA-N |
| PubChem CID | 74978 |
| ChEMBL | CHEMBL3183745 |
| EC No. | 218-254-8 |
| DTXSID | DTXSID9044613 |
| Lokaler Name | 1,1'-Azobis(1-cyclohexancarbonitril) |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 72,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 368 |
| Physical Description | 1,1'-azodi-(hexahydrobenzonitrile) appears as a white to light colored solid substance. Insoluble in water and more dense that water. May cause irritation to skin, eyes, and mucous membranes. May be toxic by ingestion. If exposed to high temperatures or flames this material may ignite and burn with an intense flame. Dust may form an explosive mixture in air.Large Crystals |
| Schmelzpunkt | 114-118 °C(lit.) |
| Siedepunkt | 423.9±38.0 °C(Predicted) |
| Dichte | 1.13±0.1 g/cm3(Predicted) |
| Dampfdruck | 0-0.001Pa at 20-25℃ |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Solid:crystalline |
| BRN | 960744 |
| Stabilität | Stable, but decomposes exothermically above about 114 C |
| InChI | 1S/C14H20N4/c15-11-13(7-3-1-4-8-13)17-18-14(12-16)9-5-2-6-10-14/h1-10H2/b18-17+ |
| InChIKey | KYIKRXIYLAGAKQ-ISLYRVAYSA-N |
| SMILES | N#CC1(CCCCC1)\N=N\C2(CCCCC2)C#N |
| LogP (Verteilungskoeffizient) | 3.256 at 25℃ and pH5-6 |
| CAS Datenbank | 2094-98-6(CAS DataBase Reference) |
| EPA chemische Informationen | 1,1'-Azobiscyclohexanecarbonitrile (2094-98-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH242 (98.8%): Heating may cause a fire [Danger Self-reactive substances and mixturesOrganic peroxides]P210, P234, P235, P240, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 83 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Cyclohexanecarbonitrile, 1,1'-azobis-Cyclohexanecarbonitrile, 1,1'-(1,2-diazenediyl)bis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanecarbonitrile, 1,1'-(1,2-diazenediyl)bis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 03-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/27517Cyclohexanecarbonitrile, 1,1'-azobis-: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Cyclohexanecarbonitrile, 1,1'-azobis-: Human health tier I assessment |
| DOT-Kennzeichnung | Flammable Solid |
| Brandgefahren | Excerpt from ERG Guide 133 [Flammable Solids]: |
| Gesundheitsgefahren | Excerpt from ERG Guide 133 [Flammable Solids]: |
| Reaktive Gruppe | Azo, Diazo, Azido, Hydrazine, and Azide Compounds |
| Reactivity Alerts | Explosive |
| Reactivity Profile | Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. May be ignited by heat, sparks or flames. 1,1'-AZODI-(HEXAHYDROBENZONITRILE) is an azo compound. Azo, diazo, azido compounds can detonate. This applies in particular to organic azides that have been sensitized by the addition of metal salts or strong acids. Toxic gases are formed by mixing materials of this class with acids, aldehydes, amides, carbamates, cyanides, inorganic fluorides, halogenated organics, isocyanates, ketones, metals, nitrides, peroxides, phenols, epoxides, acyl halides, and strong oxidizing or reducing agents. Flammable gases are formed by mixing materials in this group with alkali metals. Explosive combination can occur with strong oxidizing agents, metal salts, peroxides, and sulfides. |
Anwendungen & Verwendung
Verwenden
A more efficient radical initiator than AIBN has been employed to initiate primary radical reactions.