The Mordant Yellow 12 with cas registry number of 6470-98-0, has the systematic name of sodium 5-[(E)-(4-aminophenyl)diazenyl]-2-hydroxybenzoate. And it is also named benzoic acid, 5-[(E)-2-(4-aminophenyl)diazenyl]-2-hydroxy-, sodium salt (1:1).
Physical properties about this chemical are: (1)#H bond acceptors: 6; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 111.1 Å2. Its chemical property is gold-brown to brown powder.
When you are using this chemical, please be cautious about it as the following:
The Mordant Yellow 12 irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].O=C([O-])c1cc(ccc1O)/N=N/c2ccc(N)cc2;
(2)InChI: InChI=1/C13H11N3O3.Na/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19;/h1-7,17H,14H2,(H,18,19);/q;+1/p-1/b16-15+;;
(3)InChIKey: RFIRVJCZAAJILM-QJNNNLKPBK;
(4)Std. InChI: InChI=1S/C13H11N3O3.Na/c14-8-1-3-9(4-2-8)15-16-10-5-6-12(17)11(7-10)13(18)19;/h1-7,17H,14H2,(H,18,19);/q;+1/p-1/b16-15+;;
(5)Std. InChIKey: RFIRVJCZAAJILM-GEEYTBSJSA-M
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