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HCID 112014Erstellt: 4. November 2026

4,5-Dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-1H-pyrazol-3-carbonsure

4,5-Dihydro-4-[4-[2-(sulfooxy)ethylsulfonyl]phenylazo]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid · 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid · 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[2-[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1-(4-sulfophenyl)-

https://huagongshe.com/de/chemical/112014

Molekülstruktur von 4,5-Dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-1H-pyrazol-3-carbonsure

Identifikatoren & physikalische Daten

CAS No.10149-98-1
SummenformelC18H16N4O12S3
Durchschnittliche Molmasse576,5 g/mol
Monoisotopische Masse575,99268548 g/mol
SMILESO=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)C1N=Nc1ccc(S(=O)(=O)CCOS(=O)(=O)O)cc1
InChIKeyZDISUHHECSVSMD-UHFFFAOYSA-N
PubChem CID112014
EC No.233-418-9
DTXSIDDTXSID501024082
Lokaler Name4,5-Dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-1H-pyrazol-3-carbonsure

Chemische & physikalische Eigenschaften

XLogP-0,1
Polarare Oberfläche (TPSA)272
H-Brücken-Donoren3
H-Brücken-Akzeptoren15
Frei drehbare Bindungen10
Schwere Atome37
Formalladung0
Komplexität1.250
Siedepunkt898.95℃[at 101 325 Pa]
Dichte1.83[at 20℃]
Dampfdruck0Pa at 25℃
pKa (Säurekonstante)-3.90±0.18(Predicted)
Löslichkeit349mg/L at 25℃
LogP (Verteilungskoeffizient)1.83 at 25℃

Sicherheit & Vorschriften

GHS-EinstufungH412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Regulatorische InformationenChemical: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-REACH registered substance: 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid (EC: 233-418-9)
Weitere SicherheitsinformationenIMAP assessments - 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (100%)
GefahrenhinweiseCode Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H412