Name: Mordant Yellow 8
SKU: 6359-83-7

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Basic Information

Molecular Structure:
CAS No.:	6359-83-7
Name:	Mordant Yellow 8

Formula:	C₁₇H₁₂N₄Na₂O₆S
Molecular Weight:	446.3449
Synonyms:	Benzoicacid, 2-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-,disodium salt (9CI);C.I. Mordant Yellow 8, disodium salt (8CI);Acid AlizarineFlavine R;Acid Alizarine Flavine RA-CF;Acid Chrome Yellow 2R;Acid ChromeYellow FR;Alizarine Chrome Fast Yellow R;Alizarine Yellow RK;AlizarolFlavine RA;Anthranol Chrome Yellow FTL;Azochromol Flavine R;C.I. 18821;C.I.Mordant Yellow 8;Chrome Fast Yellow JR;Diacromo Yellow RL;Diamond FastYellow R;Eriochrome Flavine 2R;Fanakrom Fast Yellow A;Hispacrom Fast YellowFAR;Java Chrome Flavine R;Magracrom Yellow 2R;Monochrome Flavine R;MordantYellow 8;Omega Flavine CLE;Orbokrom Flavin R;Pontachrome Yellow FR;SalicineChrome Flavine R;Solochrome Flavine R;Tertrochrome Yellow FAR;
EINECS:	228-809-6
Density:	1.59[at 20℃]
Solubility:	14.4g/L at 20℃
PSA:	163.10000
LogP:	1.41060

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Specification

The Mordant Yellow 8 with the cas number 6359-83-7 is also called C.I. 18821. The IUPAC name is disodium 2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl] benzoate. Its EINECS registry number is 228-809-6. The molecular formula of this chemical is C₁₇H₁₂N₄Na₂O₆S.

Properties Computed from Structure: (1)H-Bond Donor: 0; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 3; (4)Tautomer Count: 7; (5)Exact Mass: 446.027294; (6)MonoIsotopic Mass: 446.027294; (7)Topological Polar Surface Area: 163; (8)Heavy Atom Count: 30; (9)Formal Charge: 0; (10)Complexity: 763; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(ccc(cc1)S(=O)(=O)[O-])N1C([C@@H](C(=N1)C)\N=N\c1c(C(=O)[O-])cccc1)=O.[Na+].[Na+]
(2)InChI: InChI=1/C17H14N4O6S.2Na/c1-10-15(19-18-14-5-3-2-4-13(14)17(23)24)16(22)21(20-10)11-6-8-12(9-7-11)28(25,26)27;;/h2-9,15H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2/b19-18+;;