基本情報
- CAS
12222-00-3- 標準SMILES
O=S(=O)([O-])c1ccc2c(N=Nc3ccc(-c4ccc(N=Nc5c([O-])c(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])ccc56)c([O-])c4)cc3[O-])c([O-])c(S(=O)(=O)[O-])cc2c1.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+]- InChIKey
FTGXCLZZPPMCHU-UHFFFAOYSA-F- 分子式
- C32H14Cu2N4O16S4.4Na
- 平均分子量
- 1,057.8 g/mol
- 単同位体質量
- 1,055.747036
名称と識別子
- 優先名称
- C.I. Direct Blue 80
- IUPAC
- dicopper;tetrasodium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
- 英語名
- Direct Blue 80
- 分子式
- C32H14Cu2N4NaO16S4(-3)
- 分子量
- 988.8
名称と別名
C.I. DIRECT BLUE 8012222-00-3DTXSID5065273RefChem:200025DTXCID1033745Direct Blue 802UCJ11P9F6dicopper;tetrasodium;3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-3,6-disulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonateCI Direct Blue 80EINECS 235-414-2EC 235-414-2UNII-2UCJ11P9F6
名称をさらに表示
Blue 7RLLDirectblueRLLDirect Blue 2RLC.I.DIRECTBLUE80Directfastblue2RLSolophenyl Blue A 4RLBenzanil Supra Blue 2RLLIntralite Fast Blue NBLLChlorantine Fast Blue 2RLLDirect blue 80 (C.I. 24315)
FTGXCLZZPPMCHU-UHFFFAOYSA-FFTGXCLZZPPMCHU-YVPKWBBTSA-FCuprate(4-), (mu-((4,4'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(azo-kappaN1))bis(3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodiumNS00019481CUPRATE(4-), (.MU.-((4,4'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(2,1-DIAZENEDIYL-.KAPPA.N1))BIS(3-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, SODIUM (1:4)CUPRATE(4-), (.MU.-((4,4'-((3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO-.KAPPA.N1))BIS(3-(HYDROXY-.KAPPA.O)-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUMCUPRATE(4-), (.MU.-((4,4'-((3,3'-DIHYDROXY(1,1'-BIPHENYL)-4,4'-DIYL)BIS(AZO))BIS(3-HYDROXY-2,7-NAPHTHALENEDISULFONATO))(8-)))DI-, TETRASODIUMCuprate(4-), (mu-((4,4'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl-kappaN1))bis(3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, sodium (1:4)
物性
構造計算による物性
- 極性表面積
- 404 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 20
- 回転可能結合数
- 5
- 重原子数
- 62
- 形式電荷
- 0
- 複雑度
- 1,720
物理化学的性質
- 比重(密度)
- 1.729 · 1.729[at 20℃]
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 水溶解度
- 26.12 g/L · 26.12g/L at 20℃
- LogP
- -4.032 at · -4.032 at 20℃
- EPAの化学物質情報
- 80 · C.I. Direct Blue 80 (12222-00-3)
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 86.2% (25 of 29) of all reports.
H412 (13.8%): 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 29 reports by companies from 2 notifications to the ECHA C&L Inventory.
Danger
H350: May cause cancer [Danger Carcinogenicity]
危険有害性情報
Regulatory Information
Chemical: Cuprate(4-), [.mu.-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium
REACH registered substance: Tetrasodium [μ-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxynaphthalene-2,7-disulphonato]](8-)]]dicuprate(4-) (EC: 235-414-2)
Cuprate(4-), [.mu.-[[4,4'-[[3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4,4'-diyl]bis(azo-.kappa.N1)]bis[3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium: 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(4-), [.mu.-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium: Environment tier I assessment
Hazard Classes and Categories
Aquatic Chronic 3 (13.8%)
Carcinogenicity - category 1B
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing InformationCuprate(4-), [.mu.-[[4,4'-[[3,3'-di(hydroxy-.kappa.O)[1,1'-biphenyl]-4,4'-diyl]bis(2,1-diazenediyl-.kappa.N1)]bis[3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato]](8-)]]di-, sodium (1:4): ACTIVE
サプライヤー10 社
超彩实业有限公司0574-83851061 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
TIANJIN XIANGRUI DYESTUFF CO.,LTD13902081959 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Winchem industrial co limited+86-13003762012 · [email protected]
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