chempirical

4-tert-Butyl-2,6-dinitrophenol

C10H12N2O5CAS 4097-49-8240.21 g/mol

Open in Covalent MOL file
N+OO−OHN+OO−
NitroPhenol

Properties

Molecular formula
C10H12N2O5
Molar mass
240.21 g/mol
Exact mass
240.0746 Da
Melting point
94–96 °C
logP
2.51Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
4097-49-8
SMILES
CC(C)(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
InChIKey
NJBDTWSOYUZQPM-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O5/c1-10(2,3)6-4-7(11(14)15)9(13)8(5-6)12(16)17/h4-5,13H,1-3H3

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Names and synonyms

6 names
  • Phenol, 4-(1,1-dimethylethyl)-2,6-dinitro-
  • Phenol, 4-tert-butyl-2,6-dinitro-
  • 4-(1,1-Dimethylethyl)-2,6-dinitrophenol
  • 2,6-Dinitro-p-(tert-butyl)phenol
  • 2,6-Dinitro-4-tert-butylphenol
  • NSC 21491

Work with 4-tert-Butyl-2,6-dinitrophenol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Dinitro-4-(trifluoromethyl)phenol393-77-165 % similar 4-tert-Butyl-2-nitrophenol3279-07-064 % similar 2,6-Dinitro-P-cresol609-93-861 % similar Picric acid88-89-159 % similar 2,6-Di-tert-butyl-4-nitrophenol728-40-556 % similar 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-655 % similar Styphnic acid82-71-355 % similar Dunnite131-74-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dinoterb1420-07-1 Dinoseb88-85-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook