基本情報
- CAS
68541-72-0- 標準SMILES
Cc1nn(-c2ccccc2)c([O-])c1N=Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc12.[Cr+3]- InChIKey
WUDKWDJHMUEONP-UHFFFAOYSA-K- 分子式
- C20H13CrN4O5S
- 平均分子量
- 473.4 g/mol
- 単同位体質量
- 473.00117
概要
See other relationships...
名称と識別子
- 優先名称
- [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonato(3-)]chromium
- IUPAC
- chromium(3+);4-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-3-oxidonaphthalene-1-sulfonate
名称と別名
(4-((4,5-Dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxynaphthalene-1-sulphonato(3-))chromiumChromium, (4-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-3-hydroxy-1-naphthalenesulfonato(3-))-Chromium, (4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-[4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxynaphthalene-1-sulphonato(3-)]chromiumChromium, [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-DTXSID401015074RefChem:401900DTXCID801780726271-352-2Chromium, [4-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(3-)]-68541-72-0EINECS 271-352-2
名称をさらに表示
WUDKWDJHMUEONP-UHFFFAOYSA-KChromium, [4-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(3-)]-NS00123413Chromium, (4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(3-))-
物性
構造計算による物性
- 極性表面積
- 154 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 710
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.
H412 (50%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationChemical: Chromium, [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-
Other Safety InformationIMAP assessments - Chromium, [4-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-3-hydroxy-1-naphthalenesulfonato(3-)]-: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 3 (50%)
化学と産業
用途と製造
General Manufacturing InformationChromium, [4-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(3-)]-: ACTIVE
関連反応
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