chempirical

Dinoseb

C10H12N2O5CAS 88-85-7240.21 g/mol

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

Properties

Molecular formula
C10H12N2O5
Molar mass
240.21 g/mol
Exact mass
240.0746 Da
Density
1.2647 g/mL (at 45 °C)
Melting point
38–42 °C
Boiling point
332 °C
logP
2.72Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
4

Identifiers

CAS number
88-85-7
SMILES
CCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIKey
OWZPCEFYPSAJFR-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

36 names · show all
  • Phenol, 2-(1-methylpropyl)-4,6-dinitro-
  • Phenol, 2-sec-butyl-4,6-dinitro-
  • 2-(1-Methylpropyl)-4,6-dinitrophenol
  • BNP 30
  • DN 289
  • Butaphene
  • 2-sec-Butyl-4,6-dinitrophenol
  • Chemox P.E.
  • 4,6-Dinitro-2-(1-methyl-n-propyl)phenol
  • DNOSBP
  • DNSBP
  • Dow general
  • 4,6-Dinitro-2-sec-butylphenol
  • 4,6-Dinitro-o-sec-butylphenol
  • BNP 20
  • Dibutox
  • DNBP
  • Liro DNBP
  • 2,4-Dinitro-6-sec-butylphenol
  • DBNF
  • WSX 8365
  • 2,4-Dinitro-6-(1-methylpropyl)phenol
  • Dytop
  • Laseb
  • Aatox
  • Hivertox
  • Ladob
  • Desicoil
  • 6-sec-Butyl-2,4-dinitrophenol
  • Butaphen
  • Premerge
  • Blaartox
  • 4,6-Dinitro-2-(2-butyl)phenol
  • Dibutox 20CE
  • NSC 202753
  • Super kabrol

Work with Dinoseb

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dinoseb acetate2813-95-860 % similar Picric acid88-89-158 % similar 2-sec-Butyl-4,6-dinitrophenyl isopropyl carbonate973-21-756 % similar Dunnite131-74-854 % similar Binapacryl485-31-454 % similar 2-Methyl-4,6-dinitrophenol534-52-153 % similar 2-Chloro-4,6-dinitrophenol946-31-651 % similar Dnoc-ammonium2980-64-550 % similar

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

Same formula

Dinoterb1420-07-1 4-tert-Butyl-2,6-dinitrophenol4097-49-8

Elsewhere

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