IARC Cancer Review: Group 2B IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 , 1993,p. 235.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 , 1993,p. 235.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 57 , 1993,p. 235.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.
The C.I. Direct Blue 15, Tetrasodium Salt is an organic compound with the formula C34H28N6O16S4.4Na. The IUPAC name of this chemical is tetrasodium 5-amino-3-[[4-[4-[2-(8-amino-1-oxo-3, 6-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methoxyphenyl]-2-methoxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate. With the CAS registry number 2429-74-5, it is also named as Tetrasodium 3,3'-[(3,3'-dimethoxybiphenyl-4,4'-diyl)di(E)diazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonate). The product's categories are Dyes and Pigments; Organics. Besides, it is a deep purple to dark blue microcrystalline powder, which should be stored in a closed and dry place. It is mainly used for dyeing of cotton, rayon, other cellulose fiber and coloring of paper, film biological staining.
Physical properties about C.I. Direct Blue 15, Tetrasodium Salt are: (1)#H bond acceptors: 22; (2)#H bond donors: 10; (3)#Freely Rotating Bonds: 15; (4)Polar Surface Area: 422.72 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc(ccc1N=Nc2c(cc3cc(cc(c3c2O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])c4ccc(c(c4)OC)N=Nc5c(cc6cc(cc(c6c5O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
(2)InChI: InChI=1/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37-,40-38-;;;;
(3)InChIKey: OLSOUGWNONTDCK-GQOFDCLQBE
(4)Std. InChI: InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4/b39-37-,40-38-;;;;
(5)Std. InChIKey: OLSOUGWNONTDCK-MCOZZWBDSA-J
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