4-Nitrophenolate

Base Information

• Chemical Name: 4-Nitrophenolate
• CAS No.: 14609-74-6
• Molecular Formula: C6H4 N O3
• Molecular Weight: 138.103
• DSSTox Substance ID: DTXSID70349337
• Wikidata: Q27125055
• Mol file: 14609-74-6.mol

Synonyms:4-Nitrophenolate;p-Nitrophenolate;14609-74-6;Phenol, 4-nitro-, ion(1-) (9CI);p-Nitrophenolate anion;p-Nitrophenoxide;p-Nitrophenylate;4-Nitrophenoxide;4-nitrobenzenolate;p-Nitrophenol anion;p-nitrophenolate ion;4-Nitrophenol anion;4-nitrophenolate anion;p-nitrophenolate(1-);4-nitro-1-benzenolate;4-nitrobenzen-1-olate;4-nitrophenolate(1-);p-Nitrophenol ion(1-);4-Nitrophenol ion(1-);SCHEMBL76724;phenol, 4-nitro-, ion(1-);CHEBI:57917;DTXSID70349337;Phenol, p-nitro-, ion(1-) (8CI);NCGC00248076-01;AE-562/34348058;Q27125055

Chemical Property of 4-Nitrophenolate

Chemical Property:

• Boiling Point: 279°Cat760mmHg
• Flash Point: 141.9°C
• PSA: 68.88000
• Density: g/cm³
• LogP: 2.26180
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 138.019117990
• Heavy Atom Count: 10
• Complexity: 123

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])[O-]

Technology Process of 4-Nitrophenolate

There total 735 articles about 4-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:

C6H5NO3*C6H4NO3(1-) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + p-nitrophenolate (14609-74-6)

Guidance literature:

In acetonitrile; at 25 ℃; Rate constant; Equilibrium constant;

DOI:10.1021/j150615a026

Reference yield:

C36H60O30*C6H4NO3(1-) (39824-47-0) → p-nitrophenolate (14609-74-6) + alpha cyclodextrin (10016-20-3)

Guidance literature:

With sodium hydroxide; phosphoric acid; In water; at 25 ℃; Equilibrium constant; pH=11.1;

DOI:10.1021/j100011a065

Reference yield:

p-nitrophenyl p-methoxybenzoate (7464-46-2) → p-nitrophenolate (14609-74-6) + 4-methoxybenzoic acid (100-09-4)

Guidance literature:

With hydroxide; In water; dimethyl sulfoxide; at 25 ℃; Rate constant; for determination of Hammett plot;

DOI:10.1016/S0040-4039(97)01033-2

upstream raw materials:

1H-imidazole

paraoxon

benzoate

4-nitrophenyl diphenylphosphinate

Downstream raw materials:

4-formylphenoxide ion

4-nitrophenol acetate

para-methoxynitrobenzene

1-methylindole

Refernces

• 1、 Astle, Maxwell A.,Rance, Graham A.,Fay, Michael W.,Notman, Stuart,Sambrook, Mark R.,Khlobystov, Andrei N.. "Synthesis of hydroxylated group IV metal oxides inside hollow graphitised carbon nanofibers: Nano-sponges and nanoreactors for enhanced decontamination of organophosphates". . p. 20444 - 20453. Retrieved 2018.
• 2、 Kashapov,Pashirova,Zhiltsova,Lukashenko,Ziganshina,Zakharova. "Supramolecular systems based on aminomethylated calix[4]resorcinarene and a cationic surfactant: Catalysts of the hydrolysis of esters of phosphorus acids". . p. 200 - 204. Retrieved 2012.
• 3、 Cibulka, Radek,Dvorak, David,Hampl, Frantisek,Liska, Frantisek. "Metallomicellar hydrolytic catalysts containing ligand surfactants derived from alkyl pyridin-2-yl ketoxime". . p. 1342 - 1354. Retrieved 1997.
• 4、 Katz, Michael J.,Klet, Rachel C.,Moon, Su-Young,Mondloch, Joseph E.,Hupp, Joseph T.,Farha, Omar K.. "One Step Backward Is Two Steps Forward: Enhancing the Hydrolysis Rate of UiO-66 by Decreasing [OH-]". . p. 4637 - 4642. Retrieved 2015.
• 5、 Zhiltsova,Lukashenko,Pashirova,Zakharova, L. Ya.,Konovalov. "Supramolecular catalytic systems based on 1, 4-diazabicyclo[2.2.2]octane, its alkylated quaternary derivatives, and lanthanum nitrate". . p. 2690 - 2696. Retrieved 2015.
• 6、 Haldar, Shobhraj,Patra, Ayan,Bera, Manindranath. "Exploring the catalytic activity of new water soluble dinuclear copper(ii) complexes towards the glycoside hydrolysis". . p. 62851 - 62861. Retrieved 2014.
• 7、 Vidal, David,Blobel, Jascha,Perez, Yolanda,Thormann, Michael,Pons, Miquel. "Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase". . p. 1102 - 1108. Retrieved 2007.
• 8、 Zakharova,Valeeva,Shagidullina,Kudryavtseva. "The micellar effect of the sodium bis(2-ethylhexyl)sulfosuccinate - decane - water reverse system on the hydrolysis of phosphoric acid esters". . p. 1696 - 1698. Retrieved 2000.
• 9、 Yang, Eun-Ji,Kim, Min-Young,Um, Ik-Hwan. "Kinetic study on quinuclidinolysis of O-4-nitrophenyl X-substituted thionobenzoates and O-3,4-dinitrophenyl thionobenzoate: Effect of amine nature on reactivity and reaction mechanism". . p. 1551 - 1556. Retrieved 2015.
• 10、 Weiner,Wiemann,Wolfe,Wentworth P.,Janda. "A pentacoordinate oxorhenium(V) metallochelate elicits antibody catalysts for phosphodiester cleavage". . p. 4088 - 4089. Retrieved 1997.