4-Butyl-2-nitrophenol

Base Information

• Chemical Name: 4-Butyl-2-nitrophenol
• CAS No.: 52899-59-9
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.218
• Hs Code.: 2908999090
• European Community (EC) Number: 258-245-6
• DSSTox Substance ID: DTXSID50200937
• Nikkaji Number: J295.830I
• Wikidata: Q83074125
• Mol file: 52899-59-9.mol

Synonyms:4-Butyl-2-nitrophenol;52899-59-9;EINECS 258-245-6;4-n-butyl-2-nitrophenol;SCHEMBL1025706;DTXSID50200937;AKOS017504532;FT-0752803

Chemical Property of 4-Butyl-2-nitrophenol

Chemical Property:

• Vapor Pressure: 0.000752mmHg at 25°C
• Refractive Index: 1.559
• Boiling Point: 297.6 °C at 760 mmHg
• Flash Point: 125.6 °C
• PSA: 66.05000
• Density: 1.179g/cm³
• LogP: 3.16620
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 190

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=CC(=C(C=C1)O)[N+](=O)[O-]

Technology Process of 4-Butyl-2-nitrophenol

There total 4 articles about 4-Butyl-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: 94.6%

4-n-butylphenol (1638-22-8) → 2-nitro-4-butylphenol (52899-59-9)

Guidance literature:

With nitric acid; ferric nitrate; In water; at 20 - 25 ℃; for 2h;

Reference yield:

silica gel + 4-n-butylphenol (1638-22-8) → 2-nitro-4-butylphenol (52899-59-9)

Guidance literature:

With nitric acid; In water;

Reference yield:

4-n-butylanisole (18272-84-9) → 2-nitro-4-butylphenol (52899-59-9)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; HBr

2: glacial acetic acid; aqueous HNO₃ / 0 - 5 °C

With hydrogen bromide; nitric acid; acetic acid;

upstream raw materials:

4-n-butylphenol

4-n-butylanisole

Downstream raw materials:

4-Heptyl-benzoic acid 4-butyl-2-nitro-phenyl ester

2-amino-4-n-butylphenol

N-(2'-hydroxy'5'-butylphenyl)acetamide

Refernces

• 1、 -. "HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND". Page/Page column 119. . Retrieved 2011/02/18.
• 2、 -. "COMPOSITION AND METHOD FOR CONTROLLING ARTHROPOD PESTS". Page/Page column 199. . Retrieved 2011/04/25.