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HCID 136539Erstellt: 26. Oktober 2026
3,4-Dimethoxybenzene-1-thiol
3,4-DIMETHOXYBENZENETHIOL · 4-MERCAPTOVERATROL · 4-MERCAPTOVERATROLE · 3,4-DIMETHOXYTHIOPHE · 3,4-Dimethoxythiophenol · 3,4 Dimethoxy Thiophenole · 3,4-DIMETHOXYPHENYLMERCAPTAN · Benzenethiol, 3,4-dimethoxy-
https://huagongshe.com/de/chemical/136539
Identifikatoren & physikalische Daten
| CAS No. | 700-96-9 |
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| Summenformel | C8H10O2S |
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| Durchschnittliche Molmasse | 170,23 g/mol |
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| Monoisotopische Masse | 170,04015056 g/mol |
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| SMILES | COc1ccc(S)cc1OC |
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| InChIKey | MTKAJLNGIVXZIS-UHFFFAOYSA-N |
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| PubChem CID | 136539 |
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| EC No. | 628-369-9 |
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| DTXSID | DTXSID10220272 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 19,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 119 |
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| LogP (Verteilungskoeffizient) | 3.32 |
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| Schmelzpunkt | 99-100 °C |
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| Siedepunkt | 162 °C (25 mmHg) |
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| Dichte | 1.175 g/mL at 25 °C |
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| Brechungsindex | n20/D 1.591 |
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| Flammpunkt | >230 °F |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| pKa (Säurekonstante) | 6.52±0.10(Predicted) |
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| BRN | 1945136 |
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| InChI | InChI=1S/C8H10O2S/c1-9-7-4-3-6(11)5-8(7)10-2/h3-5,11H,1-2H3 |
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| InChIKey | MTKAJLNGIVXZIS-UHFFFAOYSA-N |
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| SMILES | C1(S)=CC=C(OC)C(OC)=C1 |
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| CAS Datenbank | 700-96-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.8%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3334 |
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| Zollcode | 29309090 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 36/37/39-26-24/25 |
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| Gefahrenklasse | STENCHAcute Tox. 4 Oral |
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| Lagerklasse | 12 - Non Combustible Liquids |
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