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HCID 119813Erstellt: 27. Oktober 2026
3-[[4-[(5,6-Dichlor-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]propiononitril
3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]-Propanenitrile · 3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]propiononitrile · 3-[N-[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]-N-ethyl]amino-Propionitrile · Propanenitrile, 3-[[4-[2-(5,6-dichloro-2-benzothiazolyl)diazenyl]-3-methylphenyl]ethylamino]-
https://huagongshe.com/de/chemical/119813
Identifikatoren & physikalische Daten
| CAS No. | 28080-90-2 |
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| Summenformel | C19H17Cl2N5S |
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| Durchschnittliche Molmasse | 418,3 g/mol |
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| Monoisotopische Masse | 417,0581721 g/mol |
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| SMILES | CCN(CCC#N)c1ccc(N=Nc2nc3cc(Cl)c(Cl)cc3s2)c(C)c1 |
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| InChIKey | QPFHNWRKKQLCMG-UHFFFAOYSA-N |
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| PubChem CID | 119813 |
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| EC No. | 248-824-1 |
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| DTXSID | DTXSID90885409 |
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| Lokaler Name | 3-[[4-[(5,6-Dichlor-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]propiononitril |
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Chemische & physikalische Eigenschaften
| XLogP | 6,3 |
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| Polarare Oberfläche (TPSA) | 92,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 27 |
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| Formalladung | 0 |
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| Komplexität | 568 |
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| Siedepunkt | 617.192±65.00 °C(Press: 760.00 Torr)(predicted) |
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| Dichte | 1.368±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
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| pKa (Säurekonstante) | 2.270±0.50(predicted) |
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| EPA chemische Informationen | Propanenitrile, 3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]- (28080-90-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (10 of 10) of all reports.Not ClassifiedAggregated GHS information provided per 10 reports by companies from 1 notifications to the ECHA C&L Inventory.This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Propanenitrile, 3-[[4-[(5,6-dichloro-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]- |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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![Molekülstruktur von 3-[[4-[(5,6-Dichlor-2-benzothiazolyl)azo]-3-methylphenyl]ethylamino]propiononitril](/img/chemical/119813.png)