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Home Nitro Compounds 20039-94-5
20039-94-5,MFCD00026282
Catalog No.:AA002CN9

20039-94-5 | 2,4-Di-tert-butyl-6-nitrophenol

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Purity
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250mg
in stock  
$145.00   $102.00
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1g
in stock  
$316.00   $222.00
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5g
in stock  
$812.00   $568.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA002CN9
Chemical Name:
2,4-Di-tert-butyl-6-nitrophenol
CAS Number:
20039-94-5
Molecular Formula:
C14H21NO3
Molecular Weight:
251.3214
MDL Number:
MFCD00026282
SMILES:
[O-][N+](=O)c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
Properties
Computed Properties
 
Complexity:
309  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
5.3  

Literature

Title: Phenol nitration induced by an {Fe(NO)2}(10) dinitrosyl iron complex.

Journal: Journal of the American Chemical Society 20110209

Title: Heme/O2/*NO nitric oxide dioxygenase (NOD) reactivity: phenolic nitration via a putative heme-peroxynitrite intermediate.

Journal: Journal of the American Chemical Society 20090819

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SDS
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Tags:20039-94-5 Molecular Formula|20039-94-5 MDL|20039-94-5 SMILES|20039-94-5 2,4-Di-tert-butyl-6-nitrophenol