CAS No.6359-88-2,ACID YELLOW 76 (C.I. 18850) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	6359-88-2
Name:	ACID YELLOW 76 (C.I. 18850)

Formula:	C₂₃H₁₉N₄NaO₇S₂
Molecular Weight:	550.5393
Synonyms:	Benzenesulfonicacid,4-[4,5-dihydro-3-methyl-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-5-oxo-1H-pyrazol-1-yl]-,sodium salt (9CI);C.I. Acid Yellow 76, sodium salt (8CI);Acid BrilliantYellow 2G;C.I. 18850;C.I. Acid Yellow 201;C.I. Acid Yellow 76;Dycosweak Acid Brilliant Yellow 2G;Folan Fast Yellow G;Milling Fast Yellow 2G;Polan Yellow G;Polar Yellow 2G;
EINECS:	228-812-2
Solubility:	soluble in water
Appearance:	Yellow powder
PSA:	174.72000
LogP:	5.20400

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Specification

The IUPAC name of Acid Yellow 76 is sodium 4-[(4Z)-3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]hydrazinylidene]-5-oxopyrazol-1-yl]benzenesulfonate. With the CAS registry number 6359-88-2, it is also named as Benzenesulfonic acid, 4-(4,5-dihydro-3-methyl-4-((4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)-5-oxo-1H-pyrazol-1-yl)-, sodium salt. The product is yellow powder, which is soluble in water. In addition, its molecular formula is C₂₃H₁₉N₄NaO₇S₂ and molecular weight is 550.5393.

The other characteristics of this product can be summarized as: (1)EINECS: 228-812-2; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 10; (4)Rotatable Bond Count: 7; (5)Tautomer Count: 4; (6)Exact Mass: 550.059285; (7)MonoIsotopic Mass: 550.059285; (8)Topological Polar Surface Area: 174; (9)Heavy Atom Count: 37; (10)Complexity: 1080.

Preparation and Uses of Acid Yellow 76: please diazotize the p-Aminophenol. And then please couple the resultant with 1-(Sulfo-phenyl)-3-methyl-5-pyrazolone. You will get this chemical after condensation of the resultant and p-Toluenesulfonyl chloride. Besides, this chemical is mainly used to dye wool, nylon and their blended fabric. It also can be used for dyeing of leather.

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].O=S(=O)(Oc1ccc(cc1)N/N=C3/C(=N\N(c2ccc(cc2)S([O-])(=O)=O)C3=O)C)c4ccc(cc4)C
(2)InChI: InChI=1/C23H20N4O7S2.Na/c1-15-3-11-21(12-4-15)36(32,33)34-19-9-5-17(6-10-19)24-25-22-16(2)26-27(23(22)28)18-7-13-20(14-8-18)35(29,30)31;/h3-14,24H,1-2H3,(H,29,30,31);/q;+1/p-1/b25-22-
(3)InChIKey: YFDYILGXXAHNGB-UJKXEMBGBX
(4)Std. InChI: InChI=1S/C23H20N4O7S2.Na/c1-15-3-11-21(12-4-15)36(32,33)34-19-9-5-17(6-10-19)24-25-22-16(2)26-27(23(22)28)18-7-13-20(14-8-18)35(29,30)31;/h3-14,24H,1-2H3,(H,29,30,31);/q;+1/p-1/b25-22-
(5)Std. InChIKey: YFDYILGXXAHNGB-SIZUISDESA-M