4-Chloro-6-nitro-o-cresol

Base Information

• Chemical Name: 4-Chloro-6-nitro-o-cresol
• CAS No.: 1760-71-0
• Molecular Formula: C7H6 Cl N O3
• Molecular Weight: 187.583
• Hs Code.: 2908999090
• European Community (EC) Number: 217-165-1
• DSSTox Substance ID: DTXSID90170064
• Nikkaji Number: J203.166C
• Wikidata: Q83039916
• Mol file: 1760-71-0.mol

Synonyms:4-chloro-2-methyl-6-nitrophenol

Chemical Property of 4-Chloro-6-nitro-o-cresol

Chemical Property:

• Vapor Pressure: 0.00582mmHg at 25°C
• Boiling Point: 264.8°Cat760mmHg
• Flash Point: 113.9°C
• PSA: 66.05000
• Density: 1.466g/cm³
• LogP: 2.78540
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 187.0036207
• Heavy Atom Count: 12
• Complexity: 182

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-2-methyl-6-nitro-phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1O)[N+](=O)[O-])Cl

Technology Process of 4-Chloro-6-nitro-o-cresol

There total 5 articles about 4-Chloro-6-nitro-o-cresol 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: 88.0%

2-methyl-4-chlorophenol (1570-64-5) → 4-chloro-2-methyl-6-nitrophenol (1760-71-0)

Guidance literature:

With nitric acid; acetic acid; at 5 ℃; for 0.666667h;

DOI:10.1016/j.ejmech.2007.10.017

Reference yield:

2-methyl-4-chlorophenol (1570-64-5) → 4-chloro-2-methyl-6-nitrophenol (1760-71-0) + 4-Chloro-6-methyl-6-nitro-cyclohexa-2,4-dienone (123871-58-9) + 4-Chloro-2-methyl-4-nitro-cyclohexa-2,5-dienone (123871-62-5)

Guidance literature:

With nitric acid; In acetic anhydride; at -60 ℃; for 0.166667h; Title compound not separated from byproducts;

DOI:10.1016/0040-4020(89)80128-0

Reference yield:

4,6-dichloro-2-methylphenol (1570-65-6) → 4-chloro-2-methyl-6-nitrophenol (1760-71-0)

Guidance literature:

With nitric acid; acetic acid;

upstream raw materials:

4,6-dichloro-2-methylphenol

2-methyl-4-chlorophenol

5-chlorosalicyclaldehyde

hydrogenchloride

Downstream raw materials:

2-amino-4-chloro-6-methylphenol

<4-Chlor-2-methyl-6-nitro-phenoxy>-essigsaeure-ethylester

4-Chlor-6-nitro-2-methyl-anisol

5-chloro-2-mercapto-7-methylbenzoxazole

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