基本情報
- CAS
68140-37-4- 標準SMILES
O=S(=O)([O-])c1ccc2c(N=Nc3cc(-c4ccc(N=Nc5c(S(=O)(=O)[O-])cc6cc(Nc7ccccc7)ccc6c5[O-])c([O-])c4)ccc3[O-])c([O-])c(S(=O)(=O)[O-])cc2c1.[Cu+2].[Cu+2].[Na+].[Na+].[Na+]- InChIKey
PGLVXPZSWHWUIY-UHFFFAOYSA-G- 分子式
- C38H20Cu2N5Na3O13S3
- 平均分子量
- 1,046.9 g/mol
- 単同位体質量
- 1,044.850476
名称と識別子
- 優先名称
- Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3)
- IUPAC
- dicopper;trisodium;4-[[5-[4-[(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate
- 英語名
- Cuprate(3-), .mu.-4-3,3-di(hydroxy-.kappa.O)-4-1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenylazo-.kappa.N11,1-biphenyl-4-ylazo-.kappa.N1-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)di-, trisodium
- 分子式
- C38H20Cu2N5NaO13S3(-2)
- 分子量
- 1000.86
名称と別名
68140-37-4Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3)DTXSID00867478Cuprate(3-), (mu-(4-((3,3'-di(hydroxy-kappaO)-4'-((1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, trisodiumCuprate(3-), [.mu.-[4-[[3,3'-di(hydroxy-.kappa.O)-4'-[[1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo-.kappa.N1][1,1'-biphenyl]-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, trisodiumCuprate(3-), (mu-(4-((3,3'-dihydroxy-4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-3-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, trisodiumCuprate(3-), [mu-[4-[2-[3,3'-di(hydroxy-kappaO)-4'-[2-[1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-kappaN1][1,1'-biphenyl]-4-yl]diazenyl-kappaN1]-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3)RefChem:579785DTXCID201473379Cuprate(3-), [.mu.-[4-[2-[3,3'-di(hydroxy-.kappa.O)-4'-[2-[1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-.kappa.N1][1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3)PGLVXPZSWHWUIY-UHFFFAOYSA-GCopper(2+) sodium 4-[(Z)-{4'-[(E)-(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3',4-dioxido[1,1'-biphenyl]-3-yl}diazenyl]-3-oxidonaphthalene-2,7-disulfonate (2/3/1)
名称をさらに表示
Cuprate, [μ-[4-[[3,3'-dihydroxy-4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo][1,1'-biphenyl]-4-yl]azo]-3-hydroxy-2,7-naphthalenedisulfonato]]di-, trisodiumCuprate(3-), [μ-[4-[[3,3'-dihydroxy- 4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl ]azo][1,1'-biphenyl]-4-yl]azo]-3-hydroxy-2,7-naphthalenedisulfonat o(7-)]]di-, trisodiumCuprate(3-), .mu.-4-3,3-di(hydroxy-.kappa.O)-4-1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenylazo-.kappa.N11,1-biphenyl-4-ylazo-.kappa.N1-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)di-, trisodium
データベース識別子
- CAS
68140-37-4- PubChem CID
- 109613
- DTXSID
DTXSID00867478- EC Number
- 614-315-1
物性
構造計算による物性
- 極性表面積
- 350 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 18
- 回転可能結合数
- 7
- 重原子数
- 64
- 形式電荷
- 0
- 複雑度
- 1,790
物理化学的性質
- EPAの化学物質情報
- 3 · Cuprate(3-), [.mu.-[4-[[3,3'-di(hydroxy-.kappa.O)-4'-[[1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo-.kappa.N1][1,1'-biphenyl]-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, trisodium (68140-37-4)
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
Warning
H320 (100%): Causes eye irritation [Warning Serious eye damage/eye irritation]
P261, P264+P265, P271, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Cuprate(3-), [.mu.-[4-[[3,3'-di(hydroxy-.kappa.O)-4'-[[1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo-.kappa.N1][1,1'-biphenyl]-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, trisodium: 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.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
Cuprate(3-), [.mu.-[4-[2-[3,3'-di(hydroxy-.kappa.O)-4'-[2-[1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl-.kappa.N1][1,1'-biphenyl]-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, sodium (1:3): ACTIVE
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