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82944-42-1

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Basic Information
CAS No.: 82944-42-1
Name: tetrasodium 3,3'-[(1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)
Molecular Structure:
Molecular Structure of 82944-42-1 (tetrasodium 3,3'-[(1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate))
Formula: C39H29N9Na4O15S4
Molecular Weight: 1083.91794
Synonyms: C.I. Direct Yellow 83;Direct Yellow 138;Direct Yellow 83;Solamine Light Yellow RA;C.I. DirectYellow 138;Tetrasodium 3,3'-((1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bis(naphthalene-1,5-disulphonate);
EINECS: 280-074-0
Solubility: soluble in water, slightly soluble in ethanol
Appearance: brown powder
PSA: 412.92000
LogP: 10.50890
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Chemistry

Molecule structure of Direct Yellow 83 (CAS NO.82944-42-1):

IUPAC Name: Tetrasodium 3-[4-[[6-[4-(4,8-disulfonatonaphthalen-2-yl)diazenyl-2-methoxy-5-methylanilino]-4-oxo-1H-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenylnaphthalene-1,5-disulfonate 
Molecular Weight: 1083.91794 g/mol
Molecular Formula: C39H29N9Na4O15S4
H-Bond Donor: 3
H-Bond Acceptor: 22
Rotatable Bond Count: 10
Tautomer Count: 377
Exact Mass: 1083.025673
MonoIsotopic Mass: 1083.025673
Topological Polar Surface Area: 375
Heavy Atom Count: 71
Canonical SMILES: CC1=CC(=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC4=NC(=O)N=C(N4)NC5=C(C=C(C(=C5)C)N=NC6=CC(=C7C=CC=C(C7=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[Na+].[Na+]
InChI: InChI=1S/C39H33N9O15S4.4Na/c1-19-11-29(31(62-3)17-27(19)47-45-21-13-25-23(35(15-21)66(56,57)58)7-5-9-33(25)64(50,51)52)40-37-42-38(44-39(49)43-37)41-30-12-20(2)28(18-32(30)63-4)48-46-22-14-26-24(36(16-22)67(59,60)61)8-6-10-34(26)65(53,54)55;;;;/h5-18H,1-4H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)H3,40,41,42,43,44,49);;;;/q;4*+1/p-4
InChIKey: JYJMXXAOKYZSSD-UHFFFAOYSA-J
EINECS: 280-074-0
Product Categories: Dyes and Pigments

Uses

 Direct Yellow 83 (CAS NO.82944-42-1) is mainly used for dyeing of cotton, linen, viscose fiber and cellulose fibers.

Specification

 Direct Yellow 83 (CAS NO.82944-42-1) is also named as Tetrasodium 3,3'-((1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis(imino(5-methoxy-2-methyl-4,1-phenylene)azo))bis(naphthalene-1,5-disulphonate) ; 1,5-naphthalenedisulfonic acid, 3,3'-[(1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis[imino(5-methoxy-2-methyl-4,1-phenylene)-2,1-diazenediyl]]bis-, sodium salt (1:4) . It is brown powder. It is soluble in water, slightly soluble in ethanol.