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DI-TERTBUTYLNITROPHENOL

Product Name
DI-TERTBUTYLNITROPHENOL
CAS No.
728-40-5
Chemical Name
DI-TERTBUTYLNITROPHENOL
Synonyms
B-28589;BAY-28589;NSC 81682;ENT-25569;Bayer-28589;DI-TERTBUTYLNITROPHENOL;3,4-Di-tert-butyl-2-nitrophenol;4-Nitro-2,6-di-tert-butylphenol;2,6-Bis(1,1-dimethylethyl)-4-nitrophenol;4-Nitro-2,6-bis-(1,1-dimethylethyl)phenol
CBNumber
CB91442055
Molecular Formula
C14H21NO3
Formula Weight
251.32
MOL File
728-40-5.mol
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DI-TERTBUTYLNITROPHENOL Property

Melting point:
154-156℃
Boiling point:
307℃
Density 
1.078
refractive index 
1.5774 (estimate)
Flash point:
118℃
storage temp. 
Inert atmosphere,Room Temperature
solubility 
Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form 
Solid
pka
7.17±0.40(Predicted)
color 
Light Yellow to Yellow
InChI
InChI=1S/C14H21NO3/c1-13(2,3)10-7-9(15(17)18)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
InChIKey
FCGKUUOTWLWJHE-UHFFFAOYSA-N
SMILES
C1(O)=C(C(C)(C)C)C=C([N+]([O-])=O)C=C1C(C)(C)C
EPA Substance Registry System
Phenol, 2,6-bis(1,1-dimethylethyl)-4-nitro- (728-40-5)
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Safety

RIDADR 
2811
HazardClass 
6.1(b)
PackingGroup 
III
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
CDS012535
Product name
2,6-di(<I>tert</I>-butyl)-4-Nitrobenzenol
Purity
Aldrich<SUP>CPR</SUP>
Packaging
50 mg
Price
$185
Updated
2025/07/31
AK Scientific
Product number
1936AL
Product name
2,6-Di-tert-butyl-4-nitrophenol
Packaging
1g
Price
$158
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0135804
Product name
2,6-DI(TERT-BUTYL)-4-NITROBENZENOL
Purity
95.00%
Packaging
1MG
Price
$647.61
Updated
2021/12/16
Medical Isotopes, Inc.
Product number
45923
Product name
2,6-Di-tert-butyl-4-nitrophenol
Packaging
1g
Price
$650
Updated
2021/12/16
American Custom Chemicals Corporation
Product number
CHM0135804
Product name
2,6-DI(TERT-BUTYL)-4-NITROBENZENOL
Purity
95.00%
Packaging
10MG
Price
$679.14
Updated
2021/12/16
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DI-TERTBUTYLNITROPHENOL Chemical Properties,Usage,Production

Uses

2,6-Di-tert-butyl-4-nitrophenol is a potentially powerful uncoupler of ATP-generating oxidative phosphorylation that has been reported to be a contaminant in submarines and indoor spaces, causing a number of objects to turn yellow (even human skin).

Synthesis

128-39-2

728-40-5

General procedure for the synthesis of 2,6-di-tert-butyl-4-nitrophenol from 2,6-di-tert-butylphenol: 2,6-di-tert-butylphenol (8 g, 39 mmol) was dissolved in 25 ml of cyclohexane at 10 °C. A mixed acid (5 ml) consisting of nitric acid and acetic acid mixed 1:1 by volume was slowly added dropwise to the reaction system while maintaining the reaction temperature at 10 °C. After the dropwise addition was completed, the reaction mixture was stirred at room temperature for 15 minutes. Upon completion of the reaction, the precipitate formed was collected by filtration and washed sequentially with water and pentane. The resulting crude product of 2,6-di-tert-butyl-4-nitrophenol (6.34 g, 65% yield) was dried in an oven and used in subsequent steps without further purification. The product was a light yellow powder with a melting point of 167-168 °C. 1H NMR (CDCl3, 100 MHz, δ): 1.48 (s, 18H, 2×t-Bu), 5.93 (s, 1H, OH), 8.13 (s, 2H, Ar-H).

References

[1] Journal of Chemical Research, 2011, vol. 35, # 2, p. 101 - 103
[2] Organic Letters, 2009, vol. 11, # 18, p. 4172 - 4175
[3] Patent: US6335445, 2002, B1. Location in patent: Page column 91
[4] Patent: US6727239, 2004, B1. Location in patent: Page column 19
[5] Journal of the Chemical Society. Perkin Transactions 2, 2002, # 6, p. 1112 - 1117

DI-TERTBUTYLNITROPHENOL Preparation Products And Raw materials

Raw materials

Preparation Products

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DI-TERTBUTYLNITROPHENOL Suppliers

China 78 Germany 1 India 2 The Netherlands 1 United States 7 Global 89
Alfa Chemistry
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View Lastest Price from DI-TERTBUTYLNITROPHENOL manufacturers

Hebei Chuanghai Biotechnology Co., Ltd
Product
DI-TERTBUTYLNITROPHENOL 728-40-5
Price
US $10.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10 mt
Release date
2024-11-12

728-40-5, DI-TERTBUTYLNITROPHENOLRelated Search:


  • DI-TERTBUTYLNITROPHENOL
  • 2,6-Bis(1,1-dimethylethyl)-4-nitrophenol
  • B-28589
  • BAY-28589
  • Bayer-28589
  • ENT-25569
  • 4-Nitro-2,6-bis-(1,1-dimethylethyl)phenol
  • 4-Nitro-2,6-di-tert-butylphenol
  • NSC 81682
  • Phenol, 2,6-bis(1,1-diMethylethyl)-4-nitro-
  • 3,4-Di-tert-butyl-2-nitrophenol
  • 2,6-di(<i>tert</i>-butyl)-4-Nitrobenzenol
  • 728-40-5