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Home Nitros 2,6-Di-tert-butyl-4-nitrophenol

2,6-Di-tert-butyl-4-nitrophenol

CAS No.:
728-40-5
Catalog Number:
AG003G69
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$138
- +
5g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG003G69
Chemical Name:
2,6-Di-tert-butyl-4-nitrophenol
CAS Number:
728-40-5
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD00664710
IUPAC Name:
2,6-ditert-butyl-4-nitrophenol
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
InChI Key:
FCGKUUOTWLWJHE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
NSC Number:
81682
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.152g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.326g/mol
Monoisotopic Mass:
251.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Literature
Title Journal
Biodegradation of dibromoneopentyl glycol by a bacterial consortium. Chemosphere 20070601
Disposition and pharmacokinetics of a lubricant contaminant, 2,6-di-tert-butyl 4-nitrophenol, in grafted human skin. Journal of applied toxicology : JAT 20060101
Disposition of 2,6-di-tert-butyl-4-nitrophenol (DBNP), a submarine atmosphere contaminant, in male Sprague-Dawley rats. Environmental research 20050701
Percutaneous absorption of 2,6-di-tert-butyl-4-nitrophenol (DBNP) in isolated perfused porcine skin. Toxicology in vitro : an international journal published in association with BIBRA 20030601
Toxicity of 2,6-Di-tert-butyl-4-Nitrophenol (DBNP). Applied occupational and environmental hygiene 20010401
Properties