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584-42-9

Basic Information
CAS No.: 584-42-9
Name: Benzoic acid,2-hydroxy-5-[2-(3-nitrophenyl)diazenyl]-, sodium salt (1:1)
Molecular Structure:
Molecular Structure of 584-42-9 (Benzoic acid,2-hydroxy-5-[2-(3-nitrophenyl)diazenyl]-, sodium salt (1:1))
Formula: C13H8N3NaO5
Molecular Weight: 309.213
Synonyms: Benzoicacid, 2-hydroxy-5-[(3-nitrophenyl)azo]-, monosodium salt (9CI);C.I. MordantYellow 1 (7CI);C.I. Mordant Yellow 1, monosodium salt (8CI);Salicylic acid,5-(m-nitrophenylazo)-, sodium salt (6CI);Acid Chrome Yellow 2GW;Acid ChromeYellow GG;Alizarin Yellow;Alizarin Yellow G;Alizarin Yellow G sodium salt;Alizarin Yellow GG;Alizarine Yellow 2G;Alizarine Yellow AGP;Alizarine YellowG;Alizarine Yellow GG;Alizarine Yellow GGW;Alizarine Yellow GM;AlizarineYellow GR;Alizarine Yellow Zh;Alizarine Yellow ZhZh;Alizarol Yellow GW;Anthranol Chrome Yellow 2G;Anthranol Chrome Yellow 5GS;Atlantichrome Yellow2G;Azochromol Yellow 5G;C.I. 14025;Calcochrome Yellow 2G;Chrome Fast YellowRW;Chrome Yellow 2G;Chrome Yellow 2GR;Chromol Yellow G;Chromol Yellow N;Cromal Yellow M;Eniacromo Yellow G;Eriochromal Yellow 2G;Eriochrome Yellow2G;Eriochrome Yellow GS;Fenakrom Yellow R;Hidachrome Yellow 2G;HispacromYellow 2G;Hispacrom Yellow 2GR;Java Chrome Yellow GT;Java Unichrome YellowGT;Kayaku Mordant Yellow GG;Magracrom Yellow GG;Metachrome Yellow;Metachrome Yellow RA;Metomega Chrome Yellow GM;Mitsui Chrome Yellow GG;Monochrome Yellow MG;Orthochrome Yellow GGW;Pontachrome Yellow GS;RV 1;Salicyl yellow;Salicylic acid, (m-nitrophenylazo)-, sodium salt;Showa ChromeYellow GG;Sodium 5-(m-nitrophenylazo)salicylate;Sodium5-[(3-nitrophenyl)azo]salicylate;Sodium m-nitrobenzeneazosalicylate;Solochrome Yellow WN;Sunchromine Yellow GG;Yodochrome Yellow GGN;
EINECS: 209-536-1
Density: N/A
Melting Point: >300oC
Boiling Point: 479.1oC at 760mmHg
Flash Point: 243.5oC
Solubility: Soluble in cold water
Appearance: slightly brown powder.
Hazard Symbols: Xi
Risk Codes: 36/37/38
Safety: 24/25
Transport Information: N/A
PSA: 130.90000
LogP: 2.60250
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Specification

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+;.