基本情報
- CAS
62524-44-1- 標準SMILES
Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(Cl)cc(Cl)c1[O-].Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(Cl)cc(S(=O)(=O)[O-])c1[O-].[Cr+3].[Na+].[Na+]- InChIKey
IOWRUSATJPBFNJ-UHFFFAOYSA-I- 分子式
- C32H20Cl3CrN8O7S.2Na
- 平均分子量
- 864.9 g/mol
- 単同位体質量
- 862.944168
名称と識別子
- 優先名称
- Chromate(2-), (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))(4-((3,5-dichloro-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, disodium
- IUPAC
- disodium;5-chloro-3-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-2-oxidobenzenesulfonate;chromium(3+);4-[(3,5-dichloro-2-oxidophenyl)diazenyl]-3-methyl-1-phenylpyrazol-5-olate
名称と別名
Chromate(2-), (5-chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-2-hydroxybenzenesulfonato(3-))(4-((3,5-dichloro-2-hydroxyphenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, disodiumChromate(2-), (5-chloro-3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))(4-(2-(3,5-dichloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, sodium (1:2)Chromate(2-), [5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)][4-[(3,5-dichloro-2-hydroxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, disodiumChromate(2-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl]diazenyl-kappaN1]-2-(hydroxy-kappaO)benzenesulfonato(3-)][4-[2-[3,5-dichloro-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, sodium (1:2)RefChem:576529DTXCID901769874263-582-7Chromate(2-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(3-)][4-[2-[3,5-dichloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, sodium (1:2)
物性
構造計算による物性
- 極性表面積
- 243 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 13
- 回転可能結合数
- 6
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,080
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 14.3% (1 of 7) of reports.
H411 (85.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory InformationChemical: Chromate(2-), [5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)][4-[(3,5-dichloro-2-hydroxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, disodium
Other Safety Information
IMAP assessments - Chromate(2-), [5-chloro-3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxybenzenesulfonato(3-)][4-[(3,5-dichloro-2-hydroxyphenyl)azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)]-, disodium: Human health tier I assessment
Hazard Classes and CategoriesAquatic Chronic 2 (85.7%)
化学と産業
用途と製造
General Manufacturing Information
Chromate(2-), [5-chloro-3-[2-[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(3-)][4-[2-[3,5-dichloro-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, sodium (1:2): INACTIVE
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