6-Chloro-3,4-dimethyl-2-nitrophenol

Base Information

• Chemical Name: 6-Chloro-3,4-dimethyl-2-nitrophenol
• CAS No.: 74098-29-6
• Molecular Formula: C8H8 Cl N O3
• Molecular Weight: 201.60702
• Hs Code.: 2908999090
• DSSTox Substance ID: DTXSID10370908
• Wikidata: Q82158087
• Mol file: 74098-29-6.mol

Synonyms:74098-29-6;6-chloro-3,4-dimethyl-2-nitrophenol;2-Chloro-4,5-dimethyl-6-nitrophenol;DTXSID10370908;MFCD00102448;AKOS015951453;FS-6448;CS-0360992;FT-0621039

Chemical Property of 6-Chloro-3,4-dimethyl-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.00453mmHg at 25°C
• Refractive Index: 1.598
• Boiling Point: 268.9°C at 760 mmHg
• Flash Point: 116.4°C
• PSA: 66.05000
• Density: 1.398g/cm³
• LogP: 3.09380
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 201.0192708
• Heavy Atom Count: 13
• Complexity: 206

Purity/Quality:

98%Min ^*data from raw suppliers

2-Chloro-4,5-dimethyl-6-nitrophenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)[N+](=O)[O-])O)Cl

Technology Process of 6-Chloro-3,4-dimethyl-2-nitrophenol

There total 1 articles about 6-Chloro-3,4-dimethyl-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: 86.0%

2-chloro-4,5-dimethylphenol (1124-04-5) → 6-chloro-3,4-dimethyl-2-nitro-phenol (74098-29-6)

Guidance literature:

With hydrogenchloride; sodium nitrate; acetic anhydride; In diethyl ether; dichloromethane; for 0.25h; Ambient temperature;

DOI:10.1021/jo970388p

Reference yield: 100.0%

6-chloro-3,4-dimethyl-2-nitro-phenol (74098-29-6) + methyl iodide (74-88-4) → 1-Chloro-2-methoxy-4,5-dimethyl-3-nitro-benzene (190908-14-6)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; for 4.5h; Ambient temperature;

DOI:10.1021/jo970388p

Reference yield:

6-chloro-3,4-dimethyl-2-nitro-phenol (74098-29-6) → 2-methoxy-5,6-dimethylaniline (190908-09-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / potassium carbonate / dimethylformamide / 4.5 h / Ambient temperature

2: 80 percent / H₂, acetic acid / Pd/C / ethanol / 8 h / 3102.9 Torr / Ambient temperature

With hydrogen; potassium carbonate; acetic acid; palladium on activated charcoal; In ethanol; N,N-dimethyl-formamide;

DOI:10.1021/jo970388p

upstream raw materials:

2-chloro-4,5-dimethylphenol

Downstream raw materials:

1-Chloro-2-methoxy-4,5-dimethyl-3-nitro-benzene

2-methoxy-5,6-dimethylaniline

7-methoxy-2,4-dimethylindole

N-(2,3-dimethyl-6-methoxyphenyl)acetamide

Refernces