HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6442001Erstellt: 3. November 2026
4-(3-(3-Carboxy-5-hydroxy-1-(4-sulphophenyl)-1H-pyrazol-4-yl)allylidene)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt, compound with triethylamine
https://huagongshe.com/de/chemical/6442001
Identifikatoren & physikalische Daten
| CAS No. | 90066-12-9 |
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| Summenformel | C29H27N5Na4O12S2 |
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| Durchschnittliche Molmasse | 793,6 g/mol |
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| Monoisotopische Masse | 793,06884079 g/mol |
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| SMILES | CCN(CC)CC.O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)/C1=C\C=C\c1c(C(=O)[O-])[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c1=O.[Na+].[Na+].[Na+].[Na+] |
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| InChIKey | WITYRCRVSBWUEK-YZCLWIHFSA-J |
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| PubChem CID | 6442001 |
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| EC No. | 290-098-3 |
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Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 280 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 15 |
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| Frei drehbare Bindungen | 7 |
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| Schwere Atome | 52 |
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| Formalladung | 0 |
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| Komplexität | 1.470 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Sens. 1 (100%) |
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