Benzoic acid,2-hydroxy-5-[2-(3-nitrophenyl)diazenyl]-, sodium salt (1:1) (584-42-9)

The IUPAC name of Sodium m-nitrobenzeneazosalicylate is sodium 3-[(3-nitrophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate. With the CAS registry number 584-42-9, it is also named as Alizarine Yellow G; Metachrome yellow. The product's categories are dyes and pigments; analytical chemistry; indicator (pH); pH indicators. It is orange to brown powder which is soluble in water and ethanol, and slightly soluble in alcohol, glycol and ether. It is used asacid-base indicators and chromatographic analysis reagent. In addition, Sodium m-nitrobenzeneazosalicylate must be stored in a tightly closed container which is placed in a cool, dry, well-ventilated area away from incompatible substances.

The other characteristics of this product can be summarized as: (1)#H bond acceptors: 8; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Rotatable Bond Count: 2; (5)Tautomer Count: 5; (6)Exact Mass: 309.036165; (7)MonoIsotopic Mass: 309.036165; (8)Topological Polar Surface Area: 127; (9)Heavy Atom Count: 22; (10)Complexity: 553; (11)Undefined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 2.

Preparation of Sodium m-nitrobenzeneazosalicylate: Diazotizating M-nitroaniline, and then coupled with sodium salicylate: 100g M-nitroaniline will be added into 400ml hydrochloric acid and 1.5L water, heating, dissolved, then coolled to 0-5 °C, and adding 540g of sodium nitrite saturated solution. Diazotization temperature has remained at 5-10 °C. After diazotization, diazonium salt will slowly be added into 116g saturated aqueous solution of sodium salicylate, the temperature was controlled at below 15 °C and carefully controled pH at 6 and continue stiring 4h, placed overnight, filters to get the crude product. Crude product dissolved in hot water, added activated carbon and a little sodium hydroxide, the pH controlled at 9, filtering, cooling, then we can get the crystallization.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].O=C([O-])c1cc(ccc1O)/N=N/c2cccc(c2)[N+]([O-])=O;
2. InChI: InChI=1/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;.