基本情報
- CAS
4702-90-3- 標準SMILES
CC1=NN(c2ccccc2)C(=O)/C1=C/C1C(=O)N(c2ccccc2)N=C1C- InChIKey
QPAPQRFSPBUJAU-CPNJWEJPSA-N- 分子式
- C21H18N4O2
- 平均分子量
- 358.4 g/mol
名称と識別子
- 優先名称
- C.I. Solvent Yellow 93
- IUPAC
- (4E)-5-methyl-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylidene]-2-phenylpyrazol-3-one
- 英語名
- C.I. Solvent Yellow 93
- 分子量
- 0
名称と別名
Solvent Yellow 93Kayaset Yellow GNC.I. Solvent Yellow 93Macrolex Yellow 3GOplas Yellow 140Solvaperm Yellow 3GSandoplast Yellow 3GDiaresin Yellow L 3GThermoplast Yellow 104EINECS 225-184-161969-52-6C.I. 48160
名称をさらに表示
C.I.Solvent Yellow 93
3H-Pyrazol-3-one, 4-((1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl)-2,4-dihydro-5-methyl-2-phenyl-3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-4-((1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one4-[(1,5-Dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one3H-Pyrazol-3-one, 4-((1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl)-2,4-dihydr o-5-methyl-2-phenyl-DTXSID80884103RefChem:572868DTXCID701023573
データベース識別子
- CAS
4702-90-3、61969-52-6- PubChem CID
- 5705091
- EC Number
- 225-184-1、612-932-0
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 65.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 3
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 712
実験および物理化学的性質
FragrancesFragrance Ingredient (3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-) -> IFRA transparency List
Physical DescriptionWet Solid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 91.2% (2190 of 2400) of all reports.
Not Classified
Aggregated GHS information provided per 2400 reports by companies from 6 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: 3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-
3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one (EC: 225-184-1)
3H-Pyrazol-3-one, 4-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl-2,4-dihydro-5-methyl-2-phenyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
化学と産業
用途と製造
U.S. Production2023: <50,000 lb
Consumer UsesDye
Industry UsesDye
Household ProductsInformation on 2 consumer products that contain C.I. Solvent Yellow 93 in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Paper Manufacturing
3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-: ACTIVE
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