HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 559293Erstellt: 27. Oktober 2026
Ethyl 3-isothiocyanatobutanoate
ETHYL 3-ISOTHIOCYANATOBUTYRATE · Ethyl 3-isothiocyanatobutanoate · ETHYL DL-3-ISOTHIOCYANATOBUTYRATE · Ethyl DL-3-isothiocyatobutyrate, 99% · 3-Isothiocyanatobutyric acid ethyl ester · Butanoic acid, 3-isothiocyanato-, ethyl ester
https://huagongshe.com/de/chemical/559293
Identifikatoren & physikalische Daten
| CAS No. | 206750-29-0 |
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| Summenformel | C7H11NO2S |
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| Durchschnittliche Molmasse | 173,24 g/mol |
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| Monoisotopische Masse | 173,05104959 g/mol |
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| SMILES | CCOC(=O)CC(C)N=C=S |
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| InChIKey | BJPWLYQGLIRJLZ-UHFFFAOYSA-N |
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| PubChem CID | 559293 |
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| EC No. | 671-036-8 |
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| DTXSID | DTXSID90339871 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 70,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 175 |
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| Siedepunkt | 87-88°C 5mm |
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| Dichte | 1,07 g/cm3 |
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| Brechungsindex | 1.4910 |
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| Flammpunkt | 87-88°C/5mm |
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| Wichte | 1.07 |
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| CAS Datenbank | 206750-29-0 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 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 (100%) |
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| UN-Transportnummer | 2810 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | 6.1 |
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| Verpackungsgruppe | II |
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