HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79340Erstellt: 3. November 2026
Methylthenoat
Thiophenate methyl · METHYL 2-THIOPHENECARBOXYLATE · 2-THIOPHENECARBOXYLIC ACID METHYL ESTER · THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER · methyl thenoate · methyl 2-thenoate · RARECHEM AL BF 0177 · LABOTEST-BB LT00847807
https://huagongshe.com/de/chemical/79340
Identifikatoren & physikalische Daten
| CAS No. | 5380-42-7 |
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| Summenformel | C6H6O2S |
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| Durchschnittliche Molmasse | 142,18 g/mol |
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| Monoisotopische Masse | 142,00885043 g/mol |
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| SMILES | COC(=O)c1cccs1 |
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| InChIKey | PGBFYLVIMDQYMS-UHFFFAOYSA-N |
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| PubChem CID | 79340 |
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| ChEBI | CHEBI:173594 |
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| EC No. | 226-371-0 |
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| DTXSID | DTXSID00202082 |
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| Lokaler Name | Methylthenoat |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 54,5 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 114 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 1.83 |
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| Siedepunkt | 94-96 °C (14 mmHg) |
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| Dichte | 1,23 g/cm3 |
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| Brechungsindex | 1.5405-1.5435 |
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| Flammpunkt | 95-97°C/15mm |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Yellow |
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| BRN | 111111 |
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| InChI | InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 |
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| InChIKey | PGBFYLVIMDQYMS-UHFFFAOYSA-N |
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| SMILES | C1(C(OC)=O)SC=CC=1 |
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| LogP (Verteilungskoeffizient) | 1.830 |
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| CAS Datenbank | 5380-42-7(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH227 (33.3%): Combustible liquid [Warning Flammable liquids]P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Flam. Liq. 4 (33.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29349990 |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 10 - Combustible liquids |
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