Chemistry informtion about C.I. Direct Violet 1, Disodium Salt (CAS NO.2586-60-9) is:
IUPAC Name: Disodium 6-Imino-5-[2-[4-[4-[2-(2-Imino-8-Oxo-5-Sulfonatonaphthalen-1-Yl)Hydrazinyl]Phenyl]Phenyl]Hydrazinyl]-4-Oxonaphthalene-1-Sulfonate
Synonyms: Direct Violet 1 ; Direct Brilliant Violet 2r ; Dianil Violet H ; Erie Violet 3r ; Chlorazol Violet N ; Ci 22570 ; Diamine Violet ; Diamine Violet N
Product Categories: Dyes and Pigments
Empirical Formula: C32H22N6Na2O8S2
Molecular Weight: 728.66
Colour Index 22570
Following is the molecular structure of C.I. Direct Violet 1, Disodium Salt(CAS NO.2586-60-9) is:
H bond acceptors: 14
H bond donors: 8
Freely Rotating Bonds: 9
Polar Surface Area: 197.32 Å2
InChI
InChI=1/C32H24N6O8S2.2Na/c33-23-11-9-21-27(47(41,42)43)15-13-25(39)29(21)31(23)37-35-19-5-1-17(2-6-19)18-3-7-20(8-4-18)36-38-32-24(34)12-10-22-28(48(44,45)46)16-14-26(40)30(22)32;;/h1-16,39-40H,33-34H2,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b37-35+,38-36+;;
Smiles
c12c(c(ccc2O)S(=O)(=O)[O-])ccc(c1\N=N\c1ccc(c2ccc(\N=N\c3c4c(c(ccc4O)S(=O)(=O)[O-])ccc3N)cc2)cc1)N.[Na+].[Na+]
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits very toxic fumes of NOx, Na2O, and SOx.
RTECS: QK1420000
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