4-tert-Butyl-2-nitrophenol

Base Information Edit

Chemical Name:4-tert-Butyl-2-nitrophenol
CAS No.:3279-07-0
Molecular Formula:C10H13NO3
Molecular Weight:195.218
Hs Code.:29089990
European Community (EC) Number:221-914-8
NSC Number:36629
UNII:Q94NDU9GTF
DSSTox Substance ID:DTXSID9074642
Nikkaji Number:J27.353H
Wikidata:Q72503831
Mol file:3279-07-0.mol

Synonyms:4-tert-Butyl-2-nitrophenol;3279-07-0;4-(TERT-BUTYL)-2-NITROPHENOL;2-Nitro-4-tert-butylphenol;Phenol, 4-(1,1-dimethylethyl)-2-nitro-;Q94NDU9GTF;2-nitro-4-tert-butyl phenol;4-tert.-butyl-2-nitrophenol;EINECS 221-914-8;NSC-36629;Phenol, 4-(1,1-dimethylethyl)-2-nitro;NSC36629;UNII-Q94NDU9GTF;o-nitro-p-t-butyl-phenol;2-nitro-4-t-butyl phenol;4-t-butyl-2-nitro-phenol;4-(t-butyl)-2-nitrophenol;SCHEMBL445240;DTXSID9074642;4-tert-Butyl-2-nitrophenol, 97%;MFCD00191888;NSC 36629;AKOS005173947;CS-W010626;AC-12203;AS-14489;B1812;FT-0658448;4-(1,1-DIMETHYLETHYL)-2-NITROPHENOL;A821416;W-106822;4-tert-butyl-2-nitro-phenol

Suppliers and Price of 4-tert-Butyl-2-nitrophenol

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-tert-Butyl-2-nitrophenol
5g
$ 55.00

TRC
4-tert-Butyl-2-nitrophenol
2.5g
$ 45.00

TCI Chemical
4-tert-Butyl-2-nitrophenol >98.0%(GC)
5g
$ 67.00

TCI Chemical
4-tert-Butyl-2-nitrophenol >98.0%(GC)
25g
$ 199.00

Sigma-Aldrich
4-tert-Butyl-2-nitrophenol 97%
25g
$ 224.00

Matrix Scientific
4-tert-Butyl-2-nitrophenol
500mg
$ 158.00

Frontier Specialty Chemicals
4-tert-Butyl-2-nitrophenol 98%
100g
$ 904.00

Frontier Specialty Chemicals
4-tert-Butyl-2-nitrophenol 98%
25g
$ 274.00

Frontier Specialty Chemicals
4-tert-Butyl-2-nitrophenol 98%
5g
$ 69.00

Crysdot
4-(tert-Butyl)-2-nitrophenol 97%
25g
$ 55.00

Total 72 raw suppliers

Chemical Property of 4-tert-Butyl-2-nitrophenol Edit

Chemical Property:

Appearance/Colour:Yellow to green crystals or oil
Vapor Pressure:0.00663mmHg at 25°C
Melting Point:27-29 °C(lit.)
Refractive Index:1.55
Boiling Point:262.6 °C at 760 mmHg
PKA:7.37±0.14(Predicted)
Flash Point:107.5 °C
PSA：66.05000
Density:1.173 g/cm³
LogP:3.12110
Storage Temp.:2-8°C
Solubility.:Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:195.08954328
Heavy Atom Count:14
Complexity:216

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butyl-2-nitrophenol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC(=C(C=C1)O)[N+](=O)[O-]
Uses 4-tert-Butyl-2-nitrophenol may be used for the preparation of (2-hydroxy-3-nitro-5-tert-butylbenzyl)trimethylammonium iodide.

Technology Process of 4-tert-Butyl-2-nitrophenol

There total 15 articles about 4-tert-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: 94.0%

: 2-(4-tert-butyl-2-nitrophenoxy)pyridine

: 3279-07-0
4-tert-butyl-2-nitrophenol

Guidance literature:: 2-(4-tert-butyl-2-nitrophenoxy)pyridine; With methyl trifluoromethanesulfonate; In toluene; at 90 ℃; for 2h; Inert atmosphere;

In methanol; toluene; at 80 ℃; for 0.5h; Inert atmosphere;

Reference yield: 93.0%

: 98-54-4
para-tert-butylphenol

: 3279-07-0
4-tert-butyl-2-nitrophenol

Guidance literature:: With Eu-Mo-modified montmorillonite HKSF; nitric acid; In tetrahydrofuran; at 20 ℃; for 12h;
DOI:10.1016/j.tet.2005.09.027