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2-Naphthalenesulfonicacid,3,3'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[4,6-dihydroxy-,sodium salt (1:2) (6507-79-5)

Identification
Name:2-Naphthalenesulfonicacid,3,3'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis[4,6-dihydroxy-,sodium salt (1:2)
Synonyms:2-Naphthalenesulfonicacid, 3,3'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4,6-dihydroxy-,disodium salt (9CI);C.I. Acid Red 154, disodium salt (8CI);Acid Leather RedIBB;Acid Milling Violet Red BB;Acid Red 154;Acid Red 4S;Acid Red BB;AcidViolet Red B;C.I. 24800;C.I. Acid Red 154;Follone Red 3BW;Lanaperl Fast Red5B;Levanol Fast Red BB;Supranol Fast Red BB;Telon Fast Red BB;Triacid FastBordeaux BBN;Wool Fast Red 5B;
CAS:6507-79-5
EINECS: 229-398-6
Molecular Formula: C40H36N4O10S2 . 2Na
Molecular Weight: 840.83
InChI: InChI=1/C40H36N4O10S2.2Na/c1-22-16-26(8-12-32(22)41-43-36-34(55(49,50)51)18-24-6-10-28(45)20-30(24)38(36)47)40(14-4-3-5-15-40)27-9-13-33(23(2)17-27)42-44-37-35(56(52,53)54)19-25-7-11-29(46)21-31(25)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/b43-41+,44-42+;;
Molecular Structure: (C40H36N4O10S2.2Na) 2-Naphthalenesulfonicacid, 3,3'-[cyclohexylidenebis[(2-methyl-4,1-phenylene)azo]]bis[4,6-dihydroxy-,...
Properties
Appearance:deep purple powder
Specification:

The Acid Red 154 with cas registry number of 6507-79-5 belongs to the categories of organics. It is also known as 3,3'-(Cyclohexylidenebis((2-methyl-4,1-phenylene)azo))bis(4,6-dihydroxy-2-naphthalenesulfonic acid), disodium salt. This chemical also has other registry number which is 53988-76-4. Its EINECS registry number is 229-398-6. Its systematic name is 2-Naphthalenesulfonic acid, 3,3'-(cyclohexylidenebis((2-methyl-4,1-phenylene)azo))bis(4,6-dihydroxy-, disodium salt. And its IUPAC name is called disodium 3-[2-[4-[1-[4-[2-(1,7-dioxo-3-sulfonatonaphthalen-2-yl)hydrazinyl]-3-methylphenyl]cyclohexyl]-2-methylphenyl]hydrazinyl]-4,6-dioxonaphthalene-2-sulfonate.

This chemical is deep purple powder. It is soluble in water with appearance of magenta. After adding concentrated hydrochloric acid, the solution shows wine red. When adding concentrated sodium hydroxide, the solution will show maroon. It is slightly soluble in ethanol and shows magenta. This chemical is mainly used for nylon, silk and wool dyeing and for paper, leather and casein plastics coloring.

Physical properties about this chemical are: (1)#H bond acceptors: 14; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 261.52 Å2.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C40H36N4O10S2.2Na/c1-22-16-26(8-12-32(22)41-43-36-34(55(49,50)51)18-24-6-10-28(45)20-30(24)38(36)47)40(14-4-3-5-15-40)27-9-13-33(23(2)17-27)42-44-37-35(56(52,53)54)19-25-7-11-29(46)21-31(25)39(37)48;;/h6-13,16-21,45-48H,3-5,14-15H2,1-2H3,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2/b43-41+,44-42+;;
(2)Smiles: [Na+].[Na+].C1(CCCCC1)(c1cc(c(cc1)\N=N\c1c(cc2ccc(cc2c1O)O)S(=O)(=O)[O-])C)c1cc(c(cc1)\N=N\c1c(cc2ccc(cc2c1O)O)S(=O)(=O)[O-])C

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