HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 70644Erstellt: 26. Oktober 2026
1,4-Dithioterephthalsure
DITHIOTEREPHTHALIC ACID · DITHIOL TEREPHTHALIC ACID · 1,4-dithio-terephthalicaci · 1,4-dithioterephthalic acid · 1,4-benzenedicarbothioicacid · benzene-1,4-dicarbothioicS-aci · 1,4-Benzenebiscarbothioic acid · Benzene-1,4-biscarbothioic acid
https://huagongshe.com/de/chemical/70644
Identifikatoren & physikalische Daten
| CAS No. | 1076-98-8 |
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| Summenformel | C8H6O2S2 |
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| Durchschnittliche Molmasse | 198,3 g/mol |
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| Monoisotopische Masse | 197,98092143 g/mol |
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| SMILES | O=C(S)c1ccc(C(=O)S)cc1 |
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| InChIKey | ZMOOAVPSGXARRF-UHFFFAOYSA-N |
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| PubChem CID | 70644 |
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| EC No. | 214-069-1 |
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| DTXSID | DTXSID3061475 |
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| Lokaler Name | 1,4-Dithioterephthalsure |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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| Polarare Oberfläche (TPSA) | 36,1 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 173 |
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| Schmelzpunkt | 127-129 °C(Solv: benzene (71-43-2)) |
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| Siedepunkt | 305.59°C (rough estimate) |
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| Dichte | 1.4729 (rough estimate) |
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| Brechungsindex | 1.5200 (estimate) |
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| pKa (Säurekonstante) | 2.07±0.10(Predicted) |
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| EPA chemische Informationen | 1,4-Benzenedicarbothioic acid (1076-98-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH334 (100%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]P233, P260, P271, P284, P304+P340, P342+P316, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Resp. Sens. 1 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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