4-Isopropyl-2,6-dinitrophenol

Base Information

• Chemical Name: 4-Isopropyl-2,6-dinitrophenol
• CAS No.: 4097-47-6
• Molecular Formula: C9H10 N2 O5
• Molecular Weight: 226.189
• Hs Code.: 2908999090
• European Community (EC) Number: 223-855-3
• NSC Number: 21481
• UNII: CWL4FT45FT
• DSSTox Substance ID: DTXSID9063295
• Nikkaji Number: J50.147F
• Wikidata: Q81990639
• Mol file: 4097-47-6.mol

Synonyms:4-Isopropyl-2,6-dinitrophenol;2,6-Dinitro-4-isopropylphenol;4097-47-6;2,6-dinitro-4-propan-2-ylphenol;Phenol, 4-(1-methylethyl)-2,6-dinitro-;Phenol, 2,6-dinitro-4-isopropyl-;Phenol, 4-isopropyl-2,6-dinitro-;AI3-19043;EINECS 223-855-3;NSC 21481;CWL4FT45FT;BRN 2467409;NSC-21481;4-06-00-03218 (Beilstein Handbook Reference);NSC21481;UNII-CWL4FT45FT;SCHEMBL5078794;DTXSID9063295;WLN: WNR BQ CNW EY1&1;2,6-Dinitro-4-(propan-2-yl)phenol;AKOS025122366;LS-104756;EN300-6731769

Chemical Property of 4-Isopropyl-2,6-dinitrophenol

Chemical Property:

• Vapor Pressure: 0.00996mmHg at 25°C
• Refractive Index: 1.5373 (estimate)
• Boiling Point: 255.8°C at 760 mmHg
• Flash Point: 103.1°C
• PSA: 111.87000
• Density: 1.399g/cm³
• LogP: 3.37840
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 226.05897142
• Heavy Atom Count: 16
• Complexity: 259

Purity/Quality:

99% ^*data from raw suppliers

4-ISOPROPYL-2,6-DINITROPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Isopropyl-2,6-dinitrophenol

There total 2 articles about 4-Isopropyl-2,6-dinitrophenol 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: 65.0%

4-Isopropylphenol (99-89-8) → 4-isopropyl-2,6-dinitrophenol (4097-47-6)

Guidance literature:

With aluminium trinitrate; In acetonitrile; at 23 ℃; regioselective reaction;

DOI:10.1021/acs.orglett.8b04141

Reference yield:

→ 4-isopropyl-2,6-dinitrophenol (4097-47-6)

Guidance literature:

p-Isopropylphenol, N2O4 in CH3CN;

upstream raw materials:

4-Isopropylphenol

Refernces