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Merck
CN

412600

4-tert-Butyl-2-nitrophenol

97%

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About This Item

Linear Formula:
(CH3)3CC6H3(NO2)OH
CAS Number:
Molecular Weight:
195.22
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
221-914-8
MDL number:
Assay:
97%
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Product Name

4-tert-Butyl-2-nitrophenol, 97%

InChI key

IHGNADPMUSNTJW-UHFFFAOYSA-N

InChI

1S/C10H13NO3/c1-10(2,3)7-4-5-9(12)8(6-7)11(13)14/h4-6,12H,1-3H3

SMILES string

CC(C)(C)c1ccc(O)c(c1)[N+]([O-])=O

assay

97%

bp

97 °C/1 mmHg (lit.)

mp

27-29 °C (lit.)

density

1.12 g/mL at 25 °C (lit.)

functional group

nitro

Application

4-tert-Butyl-2-nitrophenol may be used for the preparation of (2-hydroxy-3-nitro-5-tert-butylbenzyl)trimethylammonium iodide.

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Vitaly A Osyanin et al.
The Journal of organic chemistry, 79(3), 1192-1198 (2014-01-15)
The first example of the use of potassium trinitromethanide as a 1,1-ambiphilic synthon equivalent for the construction of a benzofuran moiety mediated by triethylamine has been developed. The method tolerates a variety of functional groups on the starting quaternary ammonium
Condensations of N-arylhydroxylamines for the preparation of 5,5'-di-tert-butyl-2,2'-dihydroxydiphenylamine.
Spence JD, et al.
Tetrahedron Letters, 44(4), 849-851 (2003)
Yong Zhang et al.
Analytica chimica acta, 899, 75-84 (2015-11-10)
In this research, the applicability of a new sorbent based on boronate affinity material is demonstrated. For this purpose, six strong polar nitrophenols were selected as models which are difficult to be extracted in neutral form (only based on hydrophobic

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