CAS 728-40-5 | 2,6-Di-tert-butyl-4-nitrophenol | CAS Number 728-40-5

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728-40-5 | 2,6-Di-tert-butyl-4-nitrophenol

CAS No: 728-40-5 Catalog No: AG003G69 MDL No:MFCD00664710

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.152g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.326g/mol

Monoisotopic Mass:

251.152g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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