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HCID 73780Erstellt: 27. Oktober 2026
3,3'-(Phenylimino)bispropiononitril
DCEA · TIMTEC-BB SBB008256 · N,N-DICYANOETHYL ANILINE · Aniline,N,N-dicyanoethyl- · Aniline, N,N-dicyanoethyl- · N,N-BIS(CYANOETHYL)ANILINE · N,N'-BIS(CYANOETHYL)ANILINE · N,N-Di(2-cyanoethyl)aniline
https://huagongshe.com/de/chemical/73780
Identifikatoren & physikalische Daten
| CAS No. | 1555-66-4 |
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| Summenformel | C12H13N3 |
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| Durchschnittliche Molmasse | 199,25 g/mol |
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| Monoisotopische Masse | 199,11094742 g/mol |
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| SMILES | N#CCCN(CCC#N)c1ccccc1 |
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| InChIKey | NSVHSAUVIFTVPN-UHFFFAOYSA-N |
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| PubChem CID | 73780 |
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| EC No. | 216-306-4 |
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| DTXSID | DTXSID7061774 |
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| Lokaler Name | 3,3'-(Phenylimino)bispropiononitril |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 50,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 241 |
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| Schmelzpunkt | 81-84 °C(lit.) |
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| Siedepunkt | 326.78°C (rough estimate) |
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| Dichte | 1.0222 (rough estimate) |
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| Brechungsindex | 1.5680 (estimate) |
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| pKa (Säurekonstante) | 3.85±0.50(Predicted) |
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| CAS Datenbank | 1555-66-4(CAS DataBase Reference) |
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| NIST chemische Informationen | 3,3'-(Phenylimino)dipropionitrile(1555-66-4) |
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| EPA chemische Informationen | Propanenitrile, 3,3'-(phenylimino)bis- (1555-66-4) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (95.1%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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