化工社化工社 化学情報印刷レポート · 研究参考用
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
識別子と物理属性
| CAS No. | 4645-07-2 |
|---|---|
| 分子式 | C17H16N4O2 |
| 平均分子量 | 308.33 g/mol |
| 単同位体質量 | 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 |
化学・物理的性質
| XLogP | 3.3 |
|---|---|
| 極性表面積 | 66.6 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 4 |
| 重原子数 | 23 |
| 形式電荷 | 0 |
| 複雑度 | 485 |
安全性と法規制
| GHS 分類 | 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. |
|---|---|
| 規制情報 | Chemical: 3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-methoxyphenyl)azo]-5-methyl-2-phenyl- |
| その他の安全情報 | 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 |
製法・合成法
製造方法
O-Anisidine diazotization, with 3-Methyl-1-phenyl-1H-pyrazol-5(4H)-one coupling.