CAS No.12222-00-3,Direct Blue 80 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	12222-00-3
Name:	Direct Blue 80

Formula:	C₃₂H₁₄Cu₂N₄Na₄O₁₆S₄
Molecular Weight:	1057.78184
Synonyms:	C.I.Direct Blue 80 (8CI);Cuprate(4-), [m-[[4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-2,7-naphthalenedisulfonato]](8-)]]di-,tetrasodium;Cuprate(4-), [m-[[4,4'-[[3,3'-di(hydroxy-kO)[1,1'-biphenyl]-4,4'-diyl]bis(azo-kN1)]bis[3-(hydroxy-kO)-2,7-naphthalenedisulfonato]](8-)]]di-, tetrasodium(9CI);2,7-Naphthalenedisulfonic acid,4,4'-[(3,3'-dihydroxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-hydroxy-, coppercomplex;Benzanil Supra Blue 2RLL;Chlorantine Fast Blue 2RLL;Direct Blue 2RL;Direct Blue 80;Intralite Blue NBLL;Intralite Fast Blue NBLL;Solophenyl BlueA 4RL;Superlitefast Blue RL;
EINECS:	235-414-2
Density:	1.729[at 20℃]
Solubility:	26.12g/L at 20℃
PSA:	392.68000
LogP:	12.37600

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Specification

The C.I. Direct Blue 80 is an organometallic with the molecular formula C₃₂H₁₄Cu₂N₄Na₄O₁₆S₄. The IUPAC name of this chemical is 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. With the CAS registry number 12222-00-3, it is also named as Cuprate(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). In addtion, C.I. Direct Blue 80 is not only used for dyeing cotton, rayon and blended fabric, but also used for coloring leather.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 20; (3)Rotatable Bond Count: 5; (4)Exact Mass: 1055.747044; (5)MonoIsotopic Mass: 1055.747044; (6)Topological Polar Surface Area: 404; (7)Heavy Atom Count: 62; (8)Covalently-Bonded Unit Count: 7.

People can use the following data to convert to the molecule structure.
1. Smiles: c12c(cc(S(=O)(=O)[O-])c(c1\N=N\c1c(cc(c3cc(c(\N=N\c4c5c(cc(c4[O-])S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc5)cc3)[O-])cc1)[O-])[O-])cc(S(=O)(=O)[O-])cc2.[Cu+2].[Cu+2].[Na+].[Na+].[Na+].[Na+];
2. InChI: InChI=1/C32H22N4O16S4.2Cu.4Na/c37-25-11-15(1-7-23(25)33-35-29-21-5-3-19(53(41,42)43)9-17(21)13-27(31(29)39)55(47,48)49)16-2-8-24(26(38)12-16)34-36-30-22-6-4-20(54(44,45)46)10-18(22)14-28(32(30)40)56(50,51)52;;;;;;/h1-14,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;;;;/q;2*+2;4*+1/p-8/b35-33+,36-34+;;;;;;.