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Ethylthiocyanat
ETHYL THIOCYANATE · ai3-18429 · Aethylrhodanid · ETHYL RHODANIDE · ETHYL RHODANATE · Ethylthiokyanat · ethyl rhodonate · ethyl thiocyanide
Identifikatoren & physikalische Daten
| CAS No. | 542-90-5 |
|---|---|
| Summenformel | C3H5NS |
| Durchschnittliche Molmasse | 87,15 g/mol |
| Monoisotopische Masse | 87,01427016 g/mol |
| SMILES | CCSC#N |
| InChIKey | WFCLYEAZTHWNEH-UHFFFAOYSA-N |
| PubChem CID | 10968 |
| EC No. | 208-833-3 |
| DTXSID | DTXSID7060259 |
| Lokaler Name | Ethylthiocyanat |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 51,2 |
| SpringerMaterials Properties | Boiling point |
| Pestizide | Pesticides -> Other Insecticides |
| Dichte | 1.007 at 73.4 °F (EPA, 1998) - Denser than waterwill sink1.0071 @ 23 °C1.020 @ 16°C1.012 g/mL at 25 °C(lit.) |
| Color/Form | Volatile liquid |
| Löslichkeit | Insoluble in watermiscible in ethanol, ethyl ethersoluble in chloroform |
| Siedepunkt | 295 °F at 760 mmHg (EPA, 1998)146 °C145 °C @760 [mm Hg]145 °C(lit.) |
| Decomposition | When heated to decomposition it emits very toxic fumes of NOx and SOx. |
| Schmelzpunkt | -122 °F (EPA, 1998)-85.5 °C-85.5°C |
| Dampfdruck | 4.83 [mmHg]4 [mm Hg] @25 °C |
| Brechungsindex | Index of refraction: 1.4684 @ 15 °C/Dn20/D 1.462(lit.) |
| Physical Description | Ethylthiocyanate is a liquid. Used as an agricultural insecticide. (EPA, 1998)Volatile liquid[HSDB] Clear faintly yellow liquid[MSDSonline] |
| Flammpunkt | 109 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1737620 |
| Henry-Konstante | 1.7×10-1 mol/(m3Pa) at 25℃, HSDB (2015) |
| Dielektrizitätskonstante | 29.6(20℃) |
| InChI | InChI=1S/C3H5NS/c1-2-5-3-4/h2H2,1H3 |
| InChIKey | WFCLYEAZTHWNEH-UHFFFAOYSA-N |
| SMILES | S(CC)C#N |
| LogP (Verteilungskoeffizient) | 1.011 (est) |
| CAS Datenbank | 542-90-5(CAS DataBase Reference) |
| NIST chemische Informationen | Thiocyanic acid, ethyl ester(542-90-5) |
| EPA chemische Informationen | Ethyl thiocyanate (542-90-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Thiocyanic acid, ethyl esterEthyl thiocyanate: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| DOT-Kennzeichnung | Poison Flammable Liquid |
| Brandgefahren | When heated to decomposition, it emits very toxic fumes of oxides of nitrogen and sulfur. (EPA, 1998) |
| Gesundheitsgefahren | This material is highly toxic if ingested. (EPA, 1998) |
| Gefahrenübersicht | In high-dose animal studies, causes somnolence, convulsions, ataxia, paralysis, and changes to the liver and kidneys[RTECS] Thiocyanates are goitrogenic[HSDB] A severe irritant capable of causing serious injury in high concentrationsA lachrymatorEffects in high-dose animal studies include convulsions[MSDSonline] See CYANIDES. |
| Reaktive Gruppe | Isocyanates and Isothiocyanates |
| Reactivity Profile | Nitric acid violently oxidized a thiocyanate solution [Bretherick, 1979 p. 121]. Caution should be exercised in treating a thiocyanate with an oxidizing agent such as a peroxide or chlorate as such mixtures have been known to explode. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
Anwendungen & Verwendung
Verwenden
Ethyl thiocyanate was used in the synthesis of hydrogen cyanide by undergoing in situ reduction with dithiothreitol.