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| CAS No.: | 1718-34-9 |
|---|---|
| Name: | Sodium 5-[(4-nitrophenyl)azo]salicylate |
| Molecular Structure: | |
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| Formula: | C13H9N3NaO5 |
| Molecular Weight: | 309.21 |
| Synonyms: | Benzoicacid, 2-hydroxy-5-[(4-nitrophenyl)azo]-, monosodium salt (9CI);C.I. MordantOrange 1, monosodium salt (8CI);Salicylic acid, 5-(p-nitrophenylazo)-, sodiumsalt (6CI);5-(p-Nitrophenylazo)salicylic acid sodium salt;Alizarin Yellow Rsodium salt;Mordant Yellow 3R;Sodium p-nitrobenzeneazosalicylate;Alizarin yellow R; |
| EINECS: | 217-002-4 |
| Density: | 1.49 g/cm3 |
| Melting Point: | 253-254 °C |
| Boiling Point: | 500.2oC at 760 mmHg |
| Flash Point: | 256.3oC |
| Solubility: | soluble in water |
| Appearance: | rust coloured solid |
| Hazard Symbols: | Xn |
| Risk Codes: | 22 |
| Safety: | 24/25 |
| PSA: | 130.90000 |
| LogP: | 2.60250 |
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- Total:34 Page 1 of 1 1
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The IUPAC name of Sodium p-nitrobenzeneazosalicylate is sodium 3-[(4-nitrophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate. With the CAS registry number 1718-34-9, it is also named as 2-Hydroxy-5-((4-nitrophenyl)azo)benzoic acid sodium salt. The product's categorie is dyes and pigments. It is rust coloured solid which is stable and incompatible with strong oxidizing agents, strong reducing agents. In addition, Sodium p-nitrobenzeneazosalicylate is a yellow colored azo dye made by the diazo coupling reaction. And it is harmful if swallowed. Furthermore, people should avoid contact with skin and eyes. When heated to decomposition it emits toxic fumes of NOx and Na2O.
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: 545; (11)Undefined Bond StereoCenter Count: 1; (12)Covalently-Bonded Unit Count: 2.
People can use the following data to convert to the molecule structure.
1. SMILES: [Na+].O=C([O-])c1cc(ccc1O)/N=N/c2ccc(cc2)[N+]([O-])=O;
2. InChI: InChI=1/C13H9N3O5.Na/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1/b15-14+;.