3-Chloro-4-hydroxy-5-nitrobenzonitrile

Base Information

• Chemical Name: 3-Chloro-4-hydroxy-5-nitrobenzonitrile
• CAS No.: 1689-88-9
• Molecular Formula: C₇H₃ClN₂O₃
• Molecular Weight: 198.565
• DSSTox Substance ID: DTXSID30168622
• Nikkaji Number: J624.929I
• Wikidata: Q83038238
• Mol file: 1689-88-9.mol

Synonyms:3-Chloro-4-hydroxy-5-nitrobenzonitrile;1689-88-9;Benzonitrile, 3-chloro-4-hydroxy-5-nitro-;C7H3ClN2O3;3-Chloro-4-hydroxy-5-nitro-Benzonitrile;C7-H3-Cl-N2-O3;2-Chloro-4-cyano-6-nitrophenol;DTXSID30168622;3-nitro-5-chloro-4-hydroxy-benzonitrile;FT-0742020;N-(2,6-Dimethylphenl)-2-pyridinecarboxamide;A18291

Chemical Property of 3-Chloro-4-hydroxy-5-nitrobenzonitrile

Chemical Property:

• Vapor Pressure: 0.00517mmHg at 25°C
• Boiling Point: 266.7°Cat760mmHg
• Flash Point: 115.1°C
• PSA: 89.84000
• Density: 1.64g/cm³
• LogP: 2.34868
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 197.9832197
• Heavy Atom Count: 13
• Complexity: 256

Purity/Quality:

97% ^*data from raw suppliers

3-Chloro-4-hydroxy-5-nitro-benzonitrile 95% ^*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)Cl)C#N

Technology Process of 3-Chloro-4-hydroxy-5-nitrobenzonitrile

There total 2 articles about 3-Chloro-4-hydroxy-5-nitrobenzonitrile 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:

2-chloro-4-cyanophenol (2315-81-3) → 3-Chlor-4-hydroxy-5-nitro-benzonitril (1689-88-9)

Guidance literature:

With nitric acid; acetic acid;

Reference yield:

→ 3-Chlor-4-hydroxy-5-nitro-benzonitril (1689-88-9)

Guidance literature:

2-Chlor-4-cyanophenol, HNO3;

DOI:10.1002/jsfa.2740201212

Reference yield:

3-Chlor-4-hydroxy-5-nitro-benzonitril (1689-88-9) → 3-Chlor-5-amino-4-hydroxybenzonitril (3861-33-4)

Guidance literature:

With hydrogen; platinum(IV) oxide;

upstream raw materials:

2-chloro-4-cyanophenol

Downstream raw materials:

3-Chlor-5-nitro-4-(methyldichloracetoxy)benzonitril

3-Chlor-5-amino-4-hydroxybenzonitril

3-Chlor-5-nitro-4-acetoxybenzonitril

2-Chlor-4-cyano-6-nitro-phenyl-oktanoat