HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 80816Erstellt: 27. Oktober 2026
3-Methyl-1-(4-nitrophenyl)-5-pyrazolon
COUPLER 2B · AKOS AUF2111 · 3-METHYL-1-(4-NITROPHENYL)-5-PYRAZOLONE · 1-(P-NITROPHENYL)-3-METHYL-5-PYRAZOLONE · 1-(4-Nitrophenyl)-3-methyl-5-pyrazolone · 1-(4-Nitrophenyl)-3-methyl-5-pyrazolone>3-Methyl-1-(p-nitrophenyl)-5(4H)-pyrazolone · 1-(4-Nitrophenyl)-3-methyl-5(4H)-pyrazolone · 3-METHYL-1-(4-NITROPHENYL)-2-PYRAZOLIN-5-ONE
https://huagongshe.com/de/chemical/80816
Identifikatoren & physikalische Daten
| CAS No. | 6402-09-1 |
|---|
| Summenformel | C10H9N3O3 |
|---|
| Durchschnittliche Molmasse | 219,2 g/mol |
|---|
| Monoisotopische Masse | 219,06439116 g/mol |
|---|
| SMILES | CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1 |
|---|
| InChIKey | MYPAMGFTHVEING-UHFFFAOYSA-N |
|---|
| PubChem CID | 80816 |
|---|
| ChEMBL | CHEMBL220283 |
|---|
| EC No. | 229-018-9 |
|---|
| DTXSID | DTXSID7064312 |
|---|
| Lokaler Name | 3-Methyl-1-(4-nitrophenyl)-5-pyrazolon |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|
| Polarare Oberfläche (TPSA) | 78,5 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 4 |
|---|
| Frei drehbare Bindungen | 1 |
|---|
| Schwere Atome | 16 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 340 |
|---|
| Schmelzpunkt | 220-225 °C |
|---|
| Siedepunkt | 360°C (rough estimate) |
|---|
| Dichte | 1.3284 (rough estimate) |
|---|
| Brechungsindex | 1.4830 (estimate) |
|---|
| Lagerbedingungen | Sealed in dry,Room Temperature |
|---|
| Aggregatzustand | powder to crystal |
|---|
| pKa (Säurekonstante) | 1.56±0.50(Predicted) |
|---|
| Farbe | White to Amber |
|---|
| CAS Datenbank | 6402-09-1(CAS DataBase Reference) |
|---|
| EPA chemische Informationen | 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-2-(4-nitrophenyl)- (6402-09-1) |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 15.6% (7 of 45) of reports.WarningH302 (84.4%): Harmful if swallowed [Warning Acute toxicity, oral]H317 (84.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 7 of 45 reports by companies.There is 1 notification provided by 38 of 45 reports by companies with hazard statement code(s).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 | Status: Active Update: 14-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25605 |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (84.4%)Skin Sens. 1 (84.4%) |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Zollcode | 2933.19.4300 |
|---|
| R-Sätze (R) | 22 |
|---|
| Gefahrensymbole | Xn |
|---|
