ChemicalBook > CAS DataBase List > DI-TERTBUTYLNITROPHENOL
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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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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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