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HCID 101006Erstellt: 3. November 2026
1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]nicotinonitril
Einecs 261-693-5 · 5-[3-(Phenylsulfonyloxy)phenylazo]-3-cyano-6-hydroxy-1,4-dimethyl-2-pyridone · [3-[(2Z)-2-(5-cyano-1,4-dimethyl-2,6-dioxopyridin-3-ylidene)hydrazinyl]phenyl] benzenesulfonate · 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile · 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-3-(phenylsulfonyl)oxyphenylazo- · 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-3-pyridinecarbonitrile · 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-(2-(3-((phenylsulfonyl)oxy)phenyl)diazenyl)-
https://huagongshe.com/de/chemical/101006
![Molekülstruktur von 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]nicotinonitril](/img/chemical/101006.png)
Identifikatoren & physikalische Daten
| CAS No. | 59312-61-7 |
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| Summenformel | C20H16N4O5S |
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| Durchschnittliche Molmasse | 424,4 g/mol |
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| Monoisotopische Masse | 424,0841408 g/mol |
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| SMILES | Cc1c(C#N)c(O)n(C)c(=O)c1N=Nc1cccc(OS(=O)(=O)c2ccccc2)c1 |
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| InChIKey | BDXBNMODQSESLA-UHFFFAOYSA-N |
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| PubChem CID | 101006 |
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| EC No. | 261-693-5 |
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| DTXSID | DTXSID1069322 |
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| Lokaler Name | 1,2-Dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]nicotinonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 141 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 8 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 30 |
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| Formalladung | 0 |
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| Komplexität | 932 |
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| Siedepunkt | 556.2±50.0 °C(Predicted) |
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| Dichte | 1.38±0.1 g/cm3(Predicted) |
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| Dampfdruck | 0Pa at 25℃ |
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| pKa (Säurekonstante) | 1.66±0.58(Predicted) |
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| Löslichkeit | 700ng/L at 20℃ |
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| LogP (Verteilungskoeffizient) | 5.39 at 20℃ |
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| EPA chemische Informationen | 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]- (59312-61-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 54.6% (53 of 97) of all reports.H413 (45.4%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 97 reports by companies from 4 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-REACH registered substance: 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulphonyl)oxy]phenyl]azo]nicotinonitrile (EC: 261-693-5)3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-3-(phenylsulfonyl)oxyphenylazo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
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| Weitere Sicherheitsinformationen | IMAP assessments - 3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-: Human health tier I assessment |
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| Hazard Classes and Categories | Aquatic Chronic 4 (45.4%) |
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| TSCA-Inventar-Status | TSCA listed |
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