基本情報
- CAS
6798-03-4- 標準SMILES
NS(=O)(=O)c1ccc([O-])c(N=Nc2c(S(=O)(=O)[O-])cc3cc(Nc4ccc5c([O-])c(N=Nc6cc(S(N)(=O)=O)ccc6[O-])c(S(=O)(=O)[O-])cc5c4)ccc3c2[O-])c1.[Cu+2].[Cu+2].[Na+].[Na+]- InChIKey
OHHRMPATRJSFJN-UHFFFAOYSA-H- 分子式
- C32H19Cu2N7O14S4.2Na
- 平均分子量
- 1,026.9 g/mol
- 単同位体質量
- 1,024.826016
名称と識別子
- 優先名称
- Cuprate(2-), (mu-((7,7'-iminobis(3-((5-(aminosulfonyl)-2-hydroxyphenyl)azo)-4-hydroxy-2-naphthalenesulfonato))(6-)))di-, disodium
- IUPAC
- dicopper;disodium;4-oxido-7-[[5-oxido-6-[(2-oxido-5-sulfamoylphenyl)diazenyl]-7-sulfonatonaphthalen-2-yl]amino]-3-[(2-oxido-5-sulfamoylphenyl)diazenyl]naphthalene-2-sulfonate
- 英語名
- Direct Violet 66
- 分子式
- C32H19Cu2N7NaO14S4-
- 分子量
- 1003.86
名称と別名
DTXSID80904411Cuprate(2-), (mu-((7,7'-iminobis(3-((5-(aminosulfonyl)-2-hydroxyphenyl)azo)-4-hydroxy-2-naphthalenesulfonato))(6-)))di-, disodiumCuprate(2-), (mu-((7,7'-iminobis(3-((5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-4-(hydroxy-kappaO)-2-naphthalenesulfonato))(6-)))di-, disodiumCuprate(2-), (mu-((7,7'-iminobis(3-(2-(5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-2-naphthalenesulfonato))(6-)))di-, sodium (1:2)Cuprate(2-), [.mu.-[[7,7'-iminobis[3-[[5-(aminosulfonyl)-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-2-naphthalenesulfonato]](6-)]]di-, disodiumCuprate(2-), [mu-[[7,7'-iminobis[3-[2-[5-(aminosulfonyl)-2-(hydroxy-kappaO)phenyl]diazenyl-kappaN1]-4-(hydroxy-kappaO)-2-naphthalenesulfonato]](6-)]]di-, sodium (1:2)RefChem:579648DTXCID501333568Cuprate(2-), [.mu.-[[7,7'-iminobis[3-[[5-(aminosulfonyl)-2-hydroxyphenyl]azo]-4-hydroxy-2-naphthalenesulfonato]](6-)]]di-, disodiumCuprate(2-), [.mu.-[[7,7'-iminobis[3-[2-[5-(aminosulfonyl)-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-2-naphthalenesulfonato]](6-)]]di-, sodium (1:2)
物性
構造計算による物性
- 極性表面積
- 422 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 21
- 回転可能結合数
- 8
- 重原子数
- 61
- 形式電荷
- 0
- 複雑度
- 1,770
物理化学的性質
- 比重(密度)
- 1.89 · 1.89[at 20℃]
- 水溶解度
- 2 g/L · 2g/L at 25℃
- LogP
- -1.61 at · -1.61 at 25℃
- EPAの化学物質情報
- 2 · Cuprate(2-), [.mu.-[[7,7'-iminobis[3-[[5-(aminosulfonyl)-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-2-naphthalenesulfonato]](6-)]]di-, disodium (6798-03-4)
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 23.8% (5 of 21) of reports.
Warning
H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 21 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Cuprate(2-), [.mu.-[[7,7'-iminobis[3-[[5-(aminosulfonyl)-2-hydroxyphenyl]azo]-4-hydroxy-2-naphthalenesulfonato]](6-)]]di-, disodium
REACH registered substance: Disodium [μ-[[7,7'-iminobis[4-hydroxy-3-[[2-hydroxy-5-sulphamoylphenyl]azo]naphthalene-2-sulphonato]](6-)]]dicuprate(2-) (EC: 229-872-2)
Cuprate(2-), [.mu.-[[7,7'-iminobis[3-[[5-(aminosulfonyl)-2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-4-(hydroxy-.kappa.O)-2-naphthalenesulfonato]](6-)]]di-, disodium: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Cuprate(2-), [.mu.-[[7,7'-iminobis[3-[[5-(aminosulfonyl)-2-hydroxyphenyl]azo]-4-hydroxy-2-naphthalenesulfonato]](6-)]]di-, disodium: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationCuprate(2-), [.mu.-[[7,7'-iminobis[3-[2-[5-(aminosulfonyl)-2-(hydroxy-.kappa.O)phenyl]diazenyl-.kappa.N1]-4-(hydroxy-.kappa.O)-2-naphthalenesulfonato]](6-)]]di-, sodium (1:2): ACTIVE
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