Molecule structure of Direct Yellow 50 (CAS NO.3214-47-9):
IUPAC Name: Tetrasodium 3-[4-[[4-(4,8-disulfonatonaphthalen-2-yl)diazenyl-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenylnaphthalene-1,5-disulfonate
Molecular Weight: 956.81654 g/mol
Molecular Formula: C35H24N6Na4O13S4
H-Bond Donor: 2
H-Bond Acceptor: 17
Rotatable Bond Count: 6
Tautomer Count: 39
Exact Mass: 955.987496
MonoIsotopic Mass: 955.987496
Topological Polar Surface Area: 319
Heavy Atom Count: 62
Complexity: 1790
Canonical SMILES: CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C35H28N6O13S4.4Na/c1-19-13-21(9-11-29(19)40-38-23-15-27-25(33(17-23)57(49,50)51)5-3-7-31(27)55(43,44)45)36-35(42)37-22-10-12-30(20(2)14-2)41-39-24-16-28-2634(18-24)58(52,53)54)6-4-8-32(28)56(46,47)48;;;;/h3-18H,1-2H3,(H2,36,37,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4
InChIKey: XRFRTDKENRGSSX-UHFFFAOYSA-J
EINECS: 221-728-7
Product Categories: Dyes and Pigments; Organics; D; Stains and Dyes; Stains&Dyes, A to
Direct Yellow 50 (CAS NO.3214-47-9) is used for cotton, viscose, silk, wool and nylon and dyeing and also used for direct printing of cellulose fibers and discharge printing. It can also be used for leather, paper, cellophane, colored anodized aluminum.
WGK Germany: 3
Direct Yellow 50 (CAS NO.3214-47-9) is also named as C.I. Direct Yellow 50 (VAN) ; C.I. Direct Yellow 50, tetrasodium salt ; Direct Fast Yellow R ; Direct Lightfast Yellow K ; NSC 47763 ; Sirius Light Yellow R ; Sirius Light Yellow R Extra ; 1,5-Naphthalenedisulfonic acid, 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt
(1:4) ; 1,5-Naphthalenedisulfonic acid, 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo))bis-, tetrasodium salt ; C.I. Direct Yellow 50, tetrasodium salt (8CI) ; Tetrasodium 3,3'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo))bisnaphthalene-1,5-disulphonate . Direct Yellow 50 (CAS NO.3214-47-9) is orange powder. It has good water solubility, the solution was yellow, slightly soluble in ethanol, insoluble in other organic solvents.
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