基本情報
- CAS
73507-64-9- 標準SMILES
CC1=NN(c2ccccc2)C(=O)C1=NN=C1C=C(S(=O)(=O)[O-])C=C(N([O-])[O-])C1=O.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(S(=O)(=O)[O-])cc([N+](=O)[O-])c1[O-].[Cr+3].[H+].[H+].[Na+]- InChIKey
NCQIJCAMPYGCRD-GLCFPVLVSA-L- 分子式
- C32H22CrN10NaO14S2
- 平均分子量
- 909.7 g/mol
- 単同位体質量
- 909.006112
概要
See other relationships...
名称と識別子
- 優先名称
- Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium dihydrogen
- IUPAC
- sodium;chromium(3+);5-(dioxidoamino)-3-[(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate;hydron;3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-5-nitro-4-oxidobenzenesulfonate
- 英語名
- Chromate(3-), bis3-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-ylazo-.kappa.N1-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)-, sodium dihydrogen
- 分子式
- C32H22CrN10NaO14S2
- 分子量
- 909.69155
名称と別名
73507-64-9Chromate(3-), bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-5-nitrobenzenesulfonato(3-))-, sodium dihydrogenChromate(3-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium dihydrogenDTXSID70904925Chromate(3-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-5-nitrobenzenesulfonato(3-))-, sodium hydrogen (1:1:2)Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium dihydrogenChromium(3+) hydrogen sodium 3-[(E)-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-id-4-yl)diazenyl]-5-nitro-4-oxidobenzene-1-sulfonate (1/2/1/2)Chromate(3-),bis[3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulfonato(3-)]-,sodium dihydrogen
物性
構造計算による物性
- 極性表面積
- 389 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 21
- 回転可能結合数
- 5
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 705
物理化学的性質
- EPAの化学物質情報
- 3 · Chromate(3-), bis[3-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium dihydrogen (73507-64-9)
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 83.3% (5 of 6) of all reports.
Warning
H319 (16.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesEye Irrit. 2 (16.7%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationChromate(3-), bis[3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-5-nitrobenzenesulfonato(3-)]-, sodium hydrogen (1:1:2): ACTIVE
関連反応
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