HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-1-methyl-1H-pyrazole-4-carbonitrile
5-AMINO-1-METHYL-1H-PYRAZOLE-4-CARBONITRILE · NSC 1412 · NSC 102022 · 2-pyrazole · AKOS B020561 · BUTTPARK 52\04-84 · TIMTEC-BB SBB007110 · ART-CHEM-BB B020561
Identifikatoren & physikalische Daten
| CAS No. | 5334-41-8 |
|---|---|
| Summenformel | C5H6N4 |
| Durchschnittliche Molmasse | 122,13 g/mol |
| Monoisotopische Masse | 122,05924621 g/mol |
| SMILES | Cn1ncc(C#N)c1N |
| InChIKey | MZFBWODPTSTYAI-UHFFFAOYSA-N |
| PubChem CID | 219740 |
| ChEMBL | CHEMBL4542449 |
| EC No. | 610-989-6 |
| DTXSID | DTXSID90277269 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 67,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 146 |
| Schmelzpunkt | 221-223°C |
| Siedepunkt | 342.4±27.0 °C(Predicted) |
| Dichte | 1.32±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Inert atmosphere,2-8°C |
| Löslichkeit | DMSO, Methanol |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.50±0.10(Predicted) |
| Farbe | Off-White to Pale Beige |
| InChI | InChI=1S/C5H6N4/c1-9-5(7)4(2-6)3-8-9/h3H,7H2,1H3 |
| InChIKey | MZFBWODPTSTYAI-UHFFFAOYSA-N |
| SMILES | N1(C)C(N)=C(C#N)C=N1 |
| CAS Datenbank | 5334-41-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Zollcode | 2933199090 |
| Gefahrensymbole | Xi |
| Gefahrenklasse | IRRITANT |
Anwendungen & Verwendung
Verwenden
An interesting synthetic intermediate