Sodium 2-methoxy-5-nitrophenolate

Base Information

• Chemical Name: Sodium 2-methoxy-5-nitrophenolate
• CAS No.: 67233-85-6
• Molecular Formula: C7H7NO4·Na
• Molecular Weight: 191.119
• Hs Code.: 2942000000
• European Community (EC) Number: 614-038-6
• UNII: A1RBP9328O
• DSSTox Substance ID: DTXSID0035790
• Wikidata: Q27273513
• Mol file: 67233-85-6.mol

Synonyms:Sodium 2-methoxy-5-nitrophenolate;67233-85-6;5-Nitroguaiacol sodium salt;Sodium 5-nitroguaiacolate;Atonik;Atonik G;2-Methoxy-5-nitrophenol sodium salt;Atonik (old);sodium;2-methoxy-5-nitrophenolate;5-Nitroguaiacol sodium;Sodium 2-methoxy-5-nitrophenoxide;Nitroguaiacolsodiumsalt;EPA Pesticide Chemical Code 129075;UNII-A1RBP9328O;Phenol, 2-methoxy-5-nitro-, sodium salt;A1RBP9328O;DTXSID0035790;2-Methoxy-5-nitrophenol,sodium salt;sodium 2-methoxy-5-nitro-phenolate;5-NGSS;5-nitro-2-methoxyphenol sodium;SCHEMBL5933909;DTXCID8015790;2-methoxy-5-nitrophenolate sodium;Tox21_303810;5-NITROGUAIACOL, SODIUM SALT;MFCD00070570;(BIPHENYL-2-YLOXY)-ACETICACID;AKOS006228386;AKOS015960461;5-nitroguaiacol sodium salt, AldrichCPR;NCGC00357091-01;SODIUM 5-NITROGUAIACOLATE [INCI];AC-11196;AS-15622;CAS-67233-85-6;LS-104778;FT-0620706;N0205;2-METHOXY-5-NITROPHENOL, SODIUM SALT;H10821;A835676;Q27273513;PHENOL, 2-METHOXY-5-NITRO-, SODIUM SALT (1:1)

Chemical Property of Sodium 2-methoxy-5-nitrophenolate

Chemical Property:

• Appearance/Colour: red crystal
• Vapor Pressure: 0.00115mmHg at 25°C
• Melting Point: 105-106 °C
• Boiling Point: 291 °C at 760 mmHg
• Flash Point: 147.1 °C
• PSA: 78.11000
• LogP: 2.27040
• Storage Temp.: Hygroscopic, Refrigerator, under inert atmosphere
• Solubility.: DMSO (Sparingly, Heated), Methanol (Slightly)
• Water Solubility.: soluble
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 191.01945195
• Heavy Atom Count: 13
• Complexity: 167

Purity/Quality:

99% ^*data from raw suppliers

Sodium5-Nitroguaiacolate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])[O-].[Na+]
• Uses: Sodium 5-nitroguaiacol is the most active monomer in sodium nitrophenolate, and has been designated and recommended as a green food engineering plant growth regulator by the United Nations and the Food and Agriculture Organization (FAO). It has a very obvious synergistic effect in the compounding of fertilizers, pesticides, fungicides, and seed coating agents; when applied in animal husbandry and fishery, it can significantly improve the yield and quality of meat, eggs and skins, and also It can enhance the immunity of animals and prevent various diseases.

Technology Process of Sodium 2-methoxy-5-nitrophenolate

There total 3 articles about Sodium 2-methoxy-5-nitrophenolate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.15%

2-methoxy-5-nitrophenyl acetate (53606-41-0) → sodium 5-nitroguaiacolate (67233-85-6)

Guidance literature:

With sodium hydroxide; at 100 ℃; for 1h; Temperature;

Reference yield:

2-methoxy-phenol (90-05-1) → sodium 5-nitroguaiacolate (67233-85-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 5,5-dimethyl-1,3-cyclohexadiene / 7 h / 45 °C

2: nitric acid; acetic acid / 6 h / 75 °C / 712.57 Torr

3: sodium hydroxide / 1 h / 100 °C

With nitric acid; acetic acid; sodium hydroxide; In 5,5-dimethyl-1,3-cyclohexadiene;

Reference yield:

3,4-dimethoxynitrobenzene (709-09-1) → Sodium; 2-methoxy-4-nitro-phenolate (4569-55-5) + sodium 5-nitroguaiacolate (67233-85-6)

Guidance literature:

In potassium hydroxide; Quantum yield; Irradiation;

upstream raw materials:

3,4-dimethoxynitrobenzene

2-methoxy-phenol

2-methoxy-5-nitrophenyl acetate

Downstream raw materials:

3-allyloxy-4-methoxynitrobenzene

C₁₀H₁₁NO₆

N,N-diethyl-2-(2-methoxy-5-nitrophenoxy)-ethylamine

1-(2-methoxy-5-nitrophenoxy)-2-bromoethane

Refernces

• 1、 Pavlickova, Libuse,Kuzmic, Petr,Soucek, Milan. "CHEMICAL ACTINOMETRY IN THE UV RANGE BASED ON THE PHOTOHYDROLYSIS OF 3,4-DIMETHOXYNITROBENZENE". . p. 368 - 374. Retrieved 2007/10/02.