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HCID 60055Erstellt: 26. Oktober 2026
[(2,4-Dinitrophenyl)thio]acetic acid
CHEMBRDG-BB 5482354 · IFLAB-BB F1209-0120 · TIMTEC-BB SBB000964 · [(2,4-DINITROPHENYL)THIO]ACETIC ACID · 2-(2,4-Dinitro phenylthio) acetic acid · 2-(2,4-dinitrophenyl)sulfanylacetic acid · Acetic acid, 2-[(2,4-dinitrophenyl)thio]- · 2-[2-(dihydroxyamino)-4-(dioxidoamino)phenyl
https://huagongshe.com/de/chemical/60055
Identifikatoren & physikalische Daten
| CAS No. | 32403-69-3 |
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| Summenformel | C8H6N2O6S |
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| Durchschnittliche Molmasse | 258,21 g/mol |
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| Monoisotopische Masse | 257,99465691 g/mol |
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| SMILES | O=C(O)CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] |
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| InChIKey | RDEPTRFZTKVALC-UHFFFAOYSA-N |
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| PubChem CID | 60055 |
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| ChEMBL | CHEMBL1368142 |
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| EC No. | 119-244-5 |
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| DTXSID | DTXSID90275649 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,7 |
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| Polarare Oberfläche (TPSA) | 154 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 325 |
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| Siedepunkt | 462.3±45.0 °C(Predicted) |
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| Dichte | 1.66±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.52±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 | Acute Tox. 4 (100%) |
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![Molekülstruktur von [(2,4-Dinitrophenyl)thio]acetic acid](/img/chemical/60055.png)