HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Amino-3-(4-methylphenyl)pyrazole
BUTTPARK 48\12-73 · SALOR-INT L317845-1EA · 3-Amino-5-p-Tolylpyrazole · 3-tosyl-1H-pyrazol-5-amine · 3-P-TOLYL-1H-PYRAZOL-5-AMINE · 5-p-Tolyl-1H-pyrazol-3-amine · 5-AMino-4-(Methylphenyl)pyrazole · 3-Amino-5-(4-methylphenyl)pyrazole
Identifikatoren & physikalische Daten
| CAS No. | 78597-54-3 |
|---|---|
| Summenformel | C10H11N3 |
| Durchschnittliche Molmasse | 173,21 g/mol |
| Monoisotopische Masse | 173,09529735 g/mol |
| SMILES | Cc1ccc(-c2cc(N)n[nH]2)cc1 |
| InChIKey | GVPFRVKDBZWRCZ-UHFFFAOYSA-N |
| PubChem CID | 736768 |
| ChEMBL | CHEMBL1483289 |
| EC No. | 624-861-2 |
| DTXSID | DTXSID10934221 |
Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,7 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 164 |
| Schmelzpunkt | 148-151 °C (lit.) |
| Siedepunkt | 438.0±33.0 °C(Predicted) |
| Dichte | 1.196±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| pKa (Säurekonstante) | 14.80±0.10(Predicted) |
| Aggregatzustand | Powder |
| Farbe | White to off-white |
| InChI | 1S/C10H11N3/c1-7-2-4-8(5-3-7)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13) |
| InChIKey | GVPFRVKDBZWRCZ-UHFFFAOYSA-N |
| SMILES | Cc1ccc(cc1)-c2cc(N)[nH]n2 |
| CAS Datenbank | 78597-54-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933199090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Amino-3-(4-methylphenyl)pyrazole may be used:As a starting material for preparing 2,5-bis(4-methylphenyl)-7-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-3,6-dicarbaldehyde, a potential precursor for building bioactive fused polycyclic pyrazoles. To synthesize 4-hetarylpyrazolo[1,5-a][1,3,5]triazines under microwave conditions and in the absence of solvent.To synthesize 5-cyano-6,7-dihydro-3-(4-methylphenyl)-6-oxo-1H-pyrazolo[3,4-b]pyridine-4-carboxylates by reacting with dialkyl dicyanofumarates.