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412600

Sigma-Aldrich

4-tert-Butyl-2-nitrophenol

97%

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About This Item

Linear Formula:
(CH3)3CC6H3(NO2)OH
CAS Number:
3279-07-0
Molecular Weight:
195.22
EC Number:
221-914-8
MDL number:
MFCD00191888
UNSPSC Code:
12352100
PubChem Substance ID:
24865812
NACRES:
NA.22

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

SMILES string

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

InChI

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

InChI key

IHGNADPMUSNTJW-UHFFFAOYSA-N

Application

4-tert-Butyl-2-nitrophenol may be used for the preparation of (2-hydroxy-3-nitro-5-tert-butylbenzyl)trimethylammonium iodide.[1]

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCT7251
MKBH2348V
01905BJ
03408CO
02303TF

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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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