5-Chloro-2-nitrophenol

Base Information

• Chemical Name: 5-Chloro-2-nitrophenol
• CAS No.: 611-07-4
• Molecular Formula: C6H4 Cl N O3
• Molecular Weight: 173.556
• Hs Code.: 2908999090
• European Community (EC) Number: 210-249-9
• UNII: 9J75UJ5JGL
• DSSTox Substance ID: DTXSID7060596
• Nikkaji Number: J95.666J
• Wikidata: Q72455895
• Mol file: 611-07-4.mol

Synonyms:5-CHLORO-2-NITROPHENOL;611-07-4;Phenol, 5-chloro-2-nitro-;2-nitro-5-chlorophenol;6-Nitro-3-chlorophenol;5-chloro-2-nitrobenzenol;MFCD09260849;9J75UJ5JGL;EINECS 210-249-9;EC 210-249-9;5-chloro-2-nitro-phenol;2-nitro-5-chloro-phenol;UNII-9J75UJ5JGL;5-Chloro-2-nitrophenol #;AN-584/43362395;SCHEMBL3138248;DTXSID7060596;AKOS005073813;CS-W003599;SS-3119;AC-33571;SY031512;A8489;AM20060436;FT-0612049;EN300-56441;W-109571;Z415740530

Chemical Property of 5-Chloro-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.0161mmHg at 25°C
• Melting Point: 41°C
• Refractive Index: 1.5810 (estimate)
• Boiling Point: 247.6 °C at 760 mmHg
• PKA: 6.08±0.13(Predicted)
• Flash Point: 103.5 °C
• PSA: 66.05000
• Density: 1.554 g/cm³
• LogP: 2.47700
• Storage Temp.: Room temperature.
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.9879707
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%, ^*data from raw suppliers

5-Chloro-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)O)[N+](=O)[O-]

Technology Process of 5-Chloro-2-nitrophenol

There total 28 articles about 5-Chloro-2-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: 93.0%

→ 5-chloro-2-nitrophenol (611-07-4)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 1.5h;

Reference yield: 78.0%

2,4-dichloronitrobenzene (611-06-3) → 5-chloro-2-nitrophenol (611-07-4)

Guidance literature:

With hydrogenchloride; In dimethyl sulfoxide;

Reference yield: 73.0%

4-chlorobenzonitrile (100-00-5) → 4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + 5-chloro-2-nitrophenol (611-07-4)

Guidance literature:

With Cumene hydroperoxide; potassium tert-butylate; In ammonia; at -33 ℃; Mechanism; competition between hydrogen and halogen substitution; other reagent t-butyl hydroperoxide, NaOH;

DOI:10.1021/jo970726m

upstream raw materials:

2-hydroxy-4-amino-1-nitrobenzene

3-monochlorophenol

3,4-dinitro-chlorobenzene

2-nitro-3-chlorophenol

Downstream raw materials:

4-chloro-2-ethoxy-1-nitrobenzene

1-chloro-3-methoxy-4-nitrobenzene

3-chloro-2,6-dinitro-phenol

4-bromo-5-chloro-2-nitrophenol

Refernces

• 1、 Maleki, Ali,Aghaei, Morteza,Paydar, Reza. "Highly efficient protocol for the aromatic compounds nitration catalyzed by magnetically recyclable core/shell nanocomposite". . p. 485 - 490. Retrieved 2017/01/10.
• 2、 -. "Spiro aryl phosphorus oxide or sulfide". Paragraph 0367; 0368; 0369; 0370; 0735; 0736; 0737; 0738. . Retrieved 2016/10/08.