Basic information
- CAS
12222-00-3- Standard 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- Molecular formula
- C32H14Cu2N4O16S4.4Na
- Average molar mass
- 1,057.8 g/mol
- Monoisotopic mass
- 1,055.747036
Names & identifiers
- Preferred name
- 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
- English name
- Direct Blue 80
- Molecular formula
- C32H14Cu2N4NaO16S4(-3)
- Molecular weight
- 988.8
Names & synonyms
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
Show more names
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)
Properties
Computed structural properties
- Topological polar surface area
- 404 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 5
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,720
Physicochemical properties
- Density
- 1.729 · 1.729[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- Water Solubility
- 26.12 g/L · 26.12g/L at 20℃
- LogP
- -4.032 at · -4.032 at 20℃
- FDA UNII
- 2 UCJ11P9F6 · 2UCJ11P9F6
- EPA Substance Registry System
- 80 · C.I. Direct Blue 80 (12222-00-3)
- Hazard statements
- 412 · H412
- Precautionary statements
- 273 · P273-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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]
Hazard information
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
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
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
Applications
UsesC.I. Direct blue 80 is a good dyeing agent for cotton fabrics.
Suppliers10 total
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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