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2,4-Dihydro-4-((2-methoxyphenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-one
S.Y72 · OilyellowOAP · C.I.Solvent Yellow 72 · C.I.Solvent Yellow 72:C.I.127450
Identifikatoren & physikalische Daten
| CAS No. | 4645-07-2 |
|---|---|
| Summenformel | C17H16N4O2 |
| Durchschnittliche Molmasse | 308,33 g/mol |
| Monoisotopische Masse | 308,12732575 g/mol |
| SMILES | COc1ccccc1N=NC1C(=O)N(c2ccccc2)N=C1C |
| InChIKey | UXNFQAZIRFBOKO-UHFFFAOYSA-N |
| PubChem CID | 62545 |
| EC No. | 225-074-3 |
| DTXSID | DTXSID3044677 |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 485 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.5% (26 of 158) of reports.WarningH302 (24.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 158 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl- |
| Weitere Sicherheitsinformationen | IMAP assessments - Dyes that could release selected carcinogenic amines (listed on AICS): Human health tier II assessment |
| Hazard Classes and Categories | Acute Tox. 4 (24.7%)Carcinogenicity - category 2 |
Herstellung & Synthese
synthetische
O-Anisidine diazotization, with 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one coupling.