3-Amino-5-nitrophenol

Base Information

• Chemical Name: 3-Amino-5-nitrophenol
• CAS No.: 618-64-4
• Molecular Formula: C6H6N2O3
• Molecular Weight: 154.125
• Hs Code.: 2922299090
• DSSTox Substance ID: DTXSID60442306
• Nikkaji Number: J79.747B
• Wikidata: Q82259513
• Mol file: 618-64-4.mol

Synonyms:3-amino-5-nitrophenol;618-64-4;5-amino-3-nitrophenol;SCHEMBL3913976;DTXSID60442306;BBL039631;MFCD03419525;STK349022;AKOS000308255;SB76217;BB 0261368;CS-0267984;FT-0761807;EN300-228355

Chemical Property of 3-Amino-5-nitrophenol

Chemical Property:

• Melting Point: 165 °C
• Boiling Point: 388.7±27.0 °C(Predicted)
• PKA: 8.39±0.10(Predicted)
• PSA: 92.07000
• Density: 1.511±0.06 g/cm3(Predicted)
• LogP: 1.98700
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 154.03784206
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

98%min ^*data from raw suppliers

3-Amino-5-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3-Amino-5-nitrophenol

There total 4 articles about 3-Amino-5-nitrophenol 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: 78.3%

GENERIC INORGANIC CATION; 3-amino-5-nitro-phenolate → 3-Amino-5-nitro-phenol (618-64-4)

Guidance literature:

With hydrogenchloride; In water;

DOI:10.1080/00397919708004154

Reference yield:

3,5-dinitrophenol (586-11-8) → 3-Amino-5-nitro-phenol (618-64-4)

Guidance literature:

With ammonium sulfide; ethanol;

Reference yield:

acetic acid-(3-hydroxy-5-nitro-anilide) (116296-08-3) → 3-Amino-5-nitro-phenol (618-64-4)

Guidance literature:

With hydrogenchloride;

upstream raw materials:

3,5-dinitrophenol

acetic acid-(3-hydroxy-5-nitro-anilide)

hydrogenchloride

acetic acid

Downstream raw materials:

5-nitroresorcinol

3-bromo-5-nitro-phenol

3-amino-2-bromo-5-nitro-phenol

3-amino-2,4,6-tribromo-5-nitro-phenol