HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Aminomalononitril-p-toluolsulfonat
AMINOMALONONITRILE TOSYLATE · dicyanomethylazanium · Aminomalononitrile p- · AMinoMalonitrile tosylate · 2-Amino malononitrile.TsOH · 2-Amino malono nitrile tosylate · aminomalonitrile p-toluenesulfonate · AMINOMALONONITRILE P-TOLUENESULFOTE
Identifikatoren & physikalische Daten
| CAS No. | 5098-14-6 |
|---|---|
| Summenformel | C10H11N3O3S |
| Durchschnittliche Molmasse | 253,28 g/mol |
| Monoisotopische Masse | 253,05211239 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)O)cc1.N#CC(N)C#N |
| InChIKey | MEUWQVWJLLBVQI-UHFFFAOYSA-N |
| PubChem CID | 563049 |
| EC No. | 225-817-1 |
| DTXSID | DTXSID50198981 |
| Lokaler Name | Aminomalononitril-p-toluolsulfonat |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 136 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 310 |
| Schmelzpunkt | 174 °C (dec.) (lit.) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,Store in freezer, under -20°C |
| Aggregatzustand | Solid |
| Farbe | Beige Powder, |
| Löslichkeit | almost transparency |
| BRN | 4050747 |
| Stabilität | Hygroscopic |
| InChI | InChI=1S/C7H8O3S.C3H3N3/c1-6-2-4-7(5-3-6)11(8,9)104-1-3(6)2-5/h2-5H,1H3,(H,8,9,10)3H,6H2 |
| InChIKey | MEUWQVWJLLBVQI-UHFFFAOYSA-N |
| SMILES | C1(S(=O)(=O)O)C=CC(C)=CC=1.C(N)(C#N)C#N |
| CAS Datenbank | 5098-14-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (95.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (10.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (10.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H332 (95.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]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.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Propanedinitrile, amino-, mono(4-methylbenzenesulfonate): Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (95.7%)Skin Irrit. 2 (10.9%)Eye Irrit. 2 (10.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 2926907090 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Aminomalononitrile p-toluenesulfonate was used in the syntheiss of 1-substituted 5-amino-4-cyano-2-hydroxyimidazoles.