2-Chloro-4-nitrophenolate

Base Information

• Chemical Name: 2-Chloro-4-nitrophenolate
• CAS No.: 30388-46-6
• Molecular Formula: C₆H₃ClNO₃
• Molecular Weight: 172.548
• DSSTox Substance ID: DTXSID801297842
• Nikkaji Number: J436.295K
• Mol file: 30388-46-6.mol

Synonyms:2-chloro-4-nitrophenolate;SCHEMBL1274078;DTXSID801297842;Phenol, 2-chloro-4-nitro-, ion(1-);30388-46-6

Chemical Property of 2-Chloro-4-nitrophenolate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 171.9801457
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Chloro-4-nitrophenolate

There total 21 articles about 2-Chloro-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:

diphenyl-acetic acid 2-chloro-4-nitro-phenyl ester → 2-chloro-4-nitrophenolate (30388-46-6) + diphenyl ketene (525-06-4)

Guidance literature:

With morpholine; tetrabutylammomium bromide; In water; acetonitrile; Further Variations:; Reagents; Kinetics;

DOI:10.1021/jo991473v

Reference yield:

Phosphoric acid 2-chloro-4-nitro-phenyl ester diphenyl ester (138554-69-5) → diphenyl hydrogen phosphate (838-85-7) + 2-chloro-4-nitrophenolate (30388-46-6)

Guidance literature:

With tris(hydroxymethylamino)methane buffer; water; hydroxide; In methanol; at 25 ℃; Rate constant; 0.5 mol dm^-3 ionic strength (KCl);

Reference yield:

phenolate (3229-70-7,42428-36-4) + Phosphoric acid 2-chloro-4-nitro-phenyl ester diphenyl ester (138554-69-5) → phosphoric acid triphenyl ester (115-86-6) + 2-chloro-4-nitrophenolate (30388-46-6)

Guidance literature:

With tris(hydroxymethylamino)methane buffer; In methanol; water; at 25 ℃; Rate constant; 0.5 mol dm^-3 ionic strength (KCl);

upstream raw materials:

1H-imidazole

Phosphoric acid 2-chloro-4-nitro-phenyl ester diethyl ester

2-chloro-4-nitrophenyl acetate

3-chlorophenoxide