4-Nitrosoresorcinol

Base Information

• Chemical Name: 4-Nitrosoresorcinol
• CAS No.: 698-31-7
• Molecular Formula: C6H5 N O3
• Molecular Weight: 139.111
• Hs Code.: 2908999090
• European Community (EC) Number: 211-815-8
• DSSTox Substance ID: DTXSID50220094
• Nikkaji Number: J6.939F,J96.496D
• Wikidata: Q83097184
• Mol file: 698-31-7.mol

Synonyms:4-Nitrosoresorcinol;698-31-7;4-nitrosobenzene-1,3-diol;Nitrosoresorcinol;Resorcinol, nitroso-;1,3-Benzenediol, 4-nitroso-;BRN 2043220;Benzoquinone, 2-hydroxy-, 1-oxime;EINECS 211-815-8;BRN 2248693;3-Hydroxy-4-hydroxyimino-2,5-cyclohexadien-1-one;2,5-Cyclohexadien-1-one, 3-hydroxy-4-hydroxyimino-;25905-65-1;NSC5553;1,3-Benzenediol, 4-nitroso, monosodium salt;4-Nitroso-1,3-benzenediol;Resorcinol, 4-nitroso-;hydroxy-p-benzoquinone oxime;SCHEMBL532655;SCHEMBL11486250;DTXSID50220094;AKOS006274158;LS-56329;LS-143418;FT-0692562;3-Hydroxy-4-(hydroxyimino)-2,5-cyclohexadien-1-one

Chemical Property of 4-Nitrosoresorcinol

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Melting Point: 122°C
• Refractive Index: 1.5423 (estimate)
• Boiling Point: 324.3°C at 760 mmHg
• PKA: 6.12±0.10(Predicted)
• Flash Point: 149.9°C
• PSA: 69.89000
• Density: 1.43g/cm³
• LogP: 1.49570
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 139.026943022
• Heavy Atom Count: 10
• Complexity: 128

Purity/Quality:

99%, ^*data from raw suppliers

4-Nitrosoresorcinol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)O)N=O
• Uses: 4-Nitrosoresorcinol, can be used in the preparation of dual colorimetric and fluorogenic probes for visualizing protein tyrosine phosphatase activity.

Technology Process of 4-Nitrosoresorcinol

There total 6 articles about 4-Nitrosoresorcinol 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: 75.0%

recorcinol (108-46-3) → 4-nitroso-1,3-benzenediol (698-31-7)

Guidance literature:

With sodium nitrite; In water;

Reference yield:

recorcinol (108-46-3) → 1,2,4-Trihydroxybenzene (533-73-3) + 4-nitroso-1,3-benzenediol (698-31-7) + 4-nitroresorcinol (3163-07-3) + 2-hydroxyresorcinol (87-66-1)

Guidance literature:

With potassium nitrate; In water; pH=5.7; Further Variations:; Reagents; pH-values; wavelength; Quantum yield; Kinetics; Irradiation;

DOI:10.1080/02772249409358000

Reference yield:

recorcinol (108-46-3) → 2,4-dinitrosoresorcinol (118-02-5) + 4-nitroso-1,3-benzenediol (698-31-7)

Guidance literature:

With sodium nitrite; In water; pH=7.2 - 7.3; Further Variations:; Reagents; wavelength; Quantum yield; Kinetics; Irradiation;

DOI:10.1080/02772249409357999

upstream raw materials:

sodium methylate

recorcinol

isopentyl nitrite

Downstream raw materials:

styphnic acid

4-nitroresorcinol

2,4-dinitroresorcinol

cyclohex-5-ene-1,2,3,4-tetraone-1,3-dioxime

Refernces

• 1、 Kendall et al.. "". . p. 1853. Retrieved 1960.
• 2、 Machado,Boule. "Phototransformation of resorcinol induced by excitation of nitrite and nitrate ions. I: nitrite ions". . p. 155 - 164. Retrieved 2007/10/03.