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Methylcyanformiat
Methyl carbonocyanidate · Carbonocyanidic acid, methyl ester · cyklona · Cyklon A · CH3OC(O)CN · METHYL CYANOFORMATE · Methylcyanomethanoate · cyanoformatemethylester
Identifikatoren & physikalische Daten
| CAS No. | 17640-15-2 |
|---|---|
| Summenformel | C3H3NO2 |
| Durchschnittliche Molmasse | 85,06 g/mol |
| Monoisotopische Masse | 85,01637834 g/mol |
| SMILES | COC(=O)C#N |
| InChIKey | OBWFJXLKRAFEDI-UHFFFAOYSA-N |
| PubChem CID | 28660 |
| EC No. | 241-626-6 |
| DTXSID | DTXSID1066235 |
| Lokaler Name | Methylcyanformiat |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 50,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 98,6 |
| SpringerMaterials Properties | Schoenflies notation |
| Schmelzpunkt | 185-186 °C |
| Siedepunkt | 100-101 °C (lit.) |
| Dichte | 1.072 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.374(lit.) |
| Flammpunkt | 79 °F |
| Aggregatzustand | liquid |
| BRN | 1742994 |
| InChI | 1S/C3H3NO2/c1-6-3(5)2-4/h1H3 |
| InChIKey | OBWFJXLKRAFEDI-UHFFFAOYSA-N |
| SMILES | COC(=O)C#N |
| EPA chemische Informationen | Carbonocyanidic acid, methyl ester (17640-15-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Carbonocyanidic acid, methyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 10-19-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3275 6.1/PG 2 |
| RTECS-Nr. | LQ7525000 |
| R-Sätze (R) | 10-26/27/28-36/38-36/37/38 |
| Gefahrensymbole | T+ |
| Sicherheitshinweise (S) | 26-28-36/37-45 |
| Gefahrenklasse | 3.2Acute Tox. 1 InhalationAcute Tox. 2 DermalAcute Tox. 2 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Beschreibung
Methyl cyanoformate is the organic compound with the formula CH3OC(O)CN. It is used as a reagent in organic synthesis as a source of the methoxy carbonyl group , in which context it is also known as Mander's reagent. It was also the active ingredient in the pesticide product Zyklon A.
Verwenden
Organic synthesis.