2,6-Dichloro-4-nitro-m-cresol

Base Information

• Chemical Name: 2,6-Dichloro-4-nitro-m-cresol
• CAS No.: 37693-15-5
• Molecular Formula: C7H5Cl2NO3
• Molecular Weight: 222.028
• European Community (EC) Number: 253-633-1
• UNII: GQ2Z632MLP
• DSSTox Substance ID: DTXSID30191132
• Nikkaji Number: J261.233J
• Wikidata: Q83063622
• Mol file: 37693-15-5.mol

Synonyms:2,6-dichloro-3-methyl-4-nitrophenol;2,6-Dichloro-4-nitro-m-cresol;37693-15-5;EINECS 253-633-1;GQ2Z632MLP;UNII-GQ2Z632MLP;2,6-Dichloro-3-methyl-4-nitro-phenol;Phenol, 2,6-dichloro-3-methyl-4-nitro-;SCHEMBL5041429;DTXSID30191132;BIXNDXIFMLMASZ-UHFFFAOYSA-N;MFCD08689885;SY313893;F86693

Chemical Property of 2,6-Dichloro-4-nitro-m-cresol

Chemical Property:

• Vapor Pressure: 0.000703mmHg at 25°C
• Melting Point: 144 °C
• Boiling Point: 298.7°Cat760mmHg
• PKA: 4.06±0.46(Predicted)
• Flash Point: 134.5°C
• PSA: 66.05000
• Density: 1.587g/cm³
• LogP: 3.43880
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 220.9646484
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

98%Min ^*data from raw suppliers

2,6-Dichloro-3-methyl-4-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1[N+](=O)[O-])Cl)O)Cl
• Uses: 2,6-Dichloro-3-methyl-4-nitrophenol is an intermediate in the synthesis of 3,5-Dichloro-2-methyl-benzoquinone (D435355). 3,5-Dichloro-2-methyl-benzoquinone is used in biological studies to evaluate the cytotoxicity and oxidative damage induced by halobenzoquinones to T24 bladder cancer cells.

Technology Process of 2,6-Dichloro-4-nitro-m-cresol

There total 5 articles about 2,6-Dichloro-4-nitro-m-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: 90.0%

3-methyl-4-nitrophenol (2581-34-2,910311-23-8) → 2,6-dichloro-3-methyl-4-nitrophenol (37693-15-5)

Guidance literature:

With sulfuryl dichloride; In acetic acid; at 90 ℃; for 3h;

Reference yield:

3-methyl-2,6-dichlorophenol (13481-70-4) → 2,6-dichloro-3-methyl-4-nitrophenol (37693-15-5)

Guidance literature:

With nitric acid; In dichloromethane; at 0 ℃; for 0.5h;

Reference yield:

→ 2,6-dichloro-3-methyl-4-nitrophenol (37693-15-5)

Guidance literature:

With nitric acid;

upstream raw materials:

3-methyl-4-nitrophenol

2,4,6-trichloro-m-cresol

hydrogenchloride

3-methyl-2,6-dichlorophenol

Downstream raw materials:

1,3-dichloro-2-iodo-4-methyl-5-nitrobenzene

acetic acid-(3,5-dichloro-4-hydroxy-2-methyl-anilide)

2,6-dichloro-3-methyl-1,4-benzoquinone

4-amino-2,6-dichloro-3-methylphenol

Refernces

• 1、 -. "THYROID HORMONE RECEPTOR AGONISTS". Paragraph 152. . Retrieved 2020/05/19.
• 2、 -. "SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR". Page 63. . Retrieved 2010/02/07.